6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one

C105H93F4N13O14 — CID 158752319

IUPAC6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
SMILESCOc1ccc(Cc2cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c3ccccc23)cc1.O=c1c2cc(Cc3ccc(-n4cccn4)cc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccc(OCC(F)(F)F)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccnc(-c4cccnc4F)c3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O
InChIInChI=1S/C28H23FN4O3.C27H24N4O3.C25H22F3N3O4.C25H24N2O4/c29-27-21(6-3-9-31-27)23-13-17(7-10-30-23)12-18-14-22-26(20-5-2-1-4-19(18)20)32-16-33(28(22)35)24-8-11-36-15-25(24)34;32-25-16-34-13-10-24(25)30-17-28-26-22-5-2-1-4-21(22)19(15-23(26)27(30)33)14-18-6-8-20(9-7-18)31-12-3-11-29-31;26-25(27,28)13-35-22-6-5-15(11-29-22)9-16-10-19-23(18-4-2-1-3-17(16)18)30-14-31(24(19)33)20-7-8-34-12-21(20)32;1-30-18-8-6-16(7-9-18)12-17-13-21-24(20-5-3-2-4-19(17)20)26-15-27(25(21)29)22-10-11-31-14-23(22)28/h1-7,9-10,13-14,16,24-25,34H,8,11-12,15H2;1-9,11-12,15,17,24-25,32H,10,13-14,16H2;1-6,10-11,14,20-21,32H,7-9,12-13H2;2-9,13,15,22-23,28H,10-12,14H2,1H3/t2*24-,25-;20-,21-;22-,23-/m0000/s1
InChIKeyINQDGHDFTCMTGL-ULQRFTJUSA-N
MW1836.97 g/mol
LogP14.98
Rot. Bonds17

About 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one

6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one (PubChem CID 158752319) has the molecular formula C105H93F4N13O14 and a molecular weight of 1836.97 g/mol. Its IUPAC name is 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
PubChem CID158752319
Molecular FormulaC105H93F4N13O14
Molecular Weight1836.97 g/mol
Exact Mass1835.69
IUPAC Name6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
SMILESCOc1ccc(Cc2cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c3ccccc23)cc1.O=c1c2cc(Cc3ccc(-n4cccn4)cc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccc(OCC(F)(F)F)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccnc(-c4cccnc4F)c3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O
InChIInChI=1S/C28H23FN4O3.C27H24N4O3.C25H22F3N3O4.C25H24N2O4/c29-27-21(6-3-9-31-27)23-13-17(7-10-30-23)12-18-14-22-26(20-5-2-1-4-19(18)20)32-16-33(28(22)35)24-8-11-36-15-25(24)34;32-25-16-34-13-10-24(25)30-17-28-26-22-5-2-1-4-21(22)19(15-23(26)27(30)33)14-18-6-8-20(9-7-18)31-12-3-11-29-31;26-25(27,28)13-35-22-6-5-15(11-29-22)9-16-10-19-23(18-4-2-1-3-17(16)18)30-14-31(24(19)33)20-7-8-34-12-21(20)32;1-30-18-8-6-16(7-9-18)12-17-13-21-24(20-5-3-2-4-19(17)20)26-15-27(25(21)29)22-10-11-31-14-23(22)28/h1-7,9-10,13-14,16,24-25,34H,8,11-12,15H2;1-9,11-12,15,17,24-25,32H,10,13-14,16H2;1-6,10-11,14,20-21,32H,7-9,12-13H2;2-9,13,15,22-23,28H,10-12,14H2,1H3/t2*24-,25-;20-,21-;22-,23-/m0000/s1
InChIKeyINQDGHDFTCMTGL-ULQRFTJUSA-N
XLogP14.98
TPSA332.35 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.97
LogP ≤ 514.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one with MolForge

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Related Compounds

3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]benzo[h]quinazolin-4-one
CID 68050566
2-[1-[[1-[[10-[6-[Carboxy-[(2-methylpropan-2-yl)oxy]methyl]-7-methyl-2-oxo-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-5-yl]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]indazol-4-yl]methyl]-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-oxoquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123695908
(2S)-2-[1-[[1-[[10-[6-[(S)-carboxy-[(2-methylpropan-2-yl)oxy]methyl]-7-methyl-2-oxo-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-5-yl]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]indazol-4-yl]methyl]-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-oxoquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 145607186
3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one;5-[4-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-4-oxobenzo[h]quinazolin-6-yl]methyl]-2-pyridinyl]pyridine-2-carbonitrile;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
CID 159186287
6-[(2-chloro-3-pyridinyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;6-[[4-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;6-[[6-(fluoromethoxy)-3-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrrolidin-1-ylphenyl)methyl]benzo[h]quinazolin-4-one
CID 159785035
6-[[6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one
CID 68050540
6-[[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one
CID 68050732
3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-[6-[3-(methylamino)propoxy]-3-pyridinyl]-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
CID 117969655
3-[(3R)-3-hydroxyoxan-4-yl]-6-[[6-[6-[3-(methylamino)propoxy]-3-pyridinyl]-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
CID 117969663
6-[(2-ethoxy-4-pyridinyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;6-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(6-methyl-3-pyridinyl)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzo[h]quinazolin-4-one
CID 157873102
N,N-dibutyl-1-[4-(6-ethoxy-3-pyridinyl)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-(4-fluoro-3-methylphenyl)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(4-methoxy-3-methylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 158301698
6-[[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3S,4S)-4-hydroxyoxan-3-yl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one;3-[(3S,4S)-4-hydroxyoxan-3-yl]-6-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzo[h]quinazolin-4-one
CID 158495355

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one?
The IUPAC name of 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one (CID 158752319) is 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one.
What is the SMILES notation for 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one?
The canonical SMILES for 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one is COc1ccc(Cc2cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3c3ccccc23)cc1.O=c1c2cc(Cc3ccc(-n4cccn4)cc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccc(OCC(F)(F)F)nc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.O=c1c2cc(Cc3ccnc(-c4cccnc4F)c3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O.
What is the InChIKey of 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one?
The InChIKey is INQDGHDFTCMTGL-ULQRFTJUSA-N. The full InChI is InChI=1S/C28H23FN4O3.C27H24N4O3.C25H22F3N3O4.C25H24N2O4/c29-27-21(6-3-9-31-27)23-13-17(7-10-30-23)12-18-14-22-26(20-5-2-1-4-19(18)20)32-16-33(28(22)35)24-8-11-36-15-25(24)34;32-25-16-34-13-10-24(25)30-17-28-26-22-5-2-1-4-21(22)19(15-23(26)27(30)33)14-18-6-8-20(9-7-18)31-12-3-11-29-31;26-25(27,28)13-35-22-6-5-15(11-29-22)9-16-10-19-23(18-4-2-1-3-17(16)18)30-14-31(24(19)33)20-7-8-34-12-21(20)32;1-30-18-8-6-16(7-9-18)12-17-13-21-24(20-5-3-2-4-19(17)20)26-15-27(25(21)29)22-10-11-31-14-23(22)28/h1-7,9-10,13-14,16,24-25,34H,8,11-12,15H2;1-9,11-12,15,17,24-25,32H,10,13-14,16H2;1-6,10-11,14,20-21,32H,7-9,12-13H2;2-9,13,15,22-23,28H,10-12,14H2,1H3/t2*24-,25-;20-,21-;22-,23-/m0000/s1.
What are the key properties of 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one?
6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one has a molecular weight of 1836.97 g/mol, XLogP of 14.98, 17 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-pyrazol-1-ylphenyl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one is sourced from PubChem (CID 158752319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).