2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one

C130H106Cl2F6N22O12 — CID 165107667

IUPAC2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cc(Cl)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(Cl)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2ccccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccnc2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C23H18F3N3O2.C22H18ClN3O2.C22H17F3N4O2.C21H17ClN4O2.2C21H18N4O2/c24-23(25,26)17-5-1-4-16(13-17)21-28-20-7-6-18(14-19(20)22(30)29-21)31-12-2-3-15-8-10-27-11-9-15;23-17-5-1-4-16(13-17)21-25-20-7-6-18(14-19(20)22(27)26-21)28-12-2-3-15-8-10-24-11-9-15;23-22(24,25)15-7-10-27-19(12-15)20-28-18-4-3-16(13-17(18)21(30)29-20)31-11-1-2-14-5-8-26-9-6-14;22-15-7-10-24-19(12-15)20-25-18-4-3-16(13-17(18)21(27)26-20)28-11-1-2-14-5-8-23-9-6-14;26-21-18-13-17(27-12-2-3-15-7-10-22-11-8-15)5-6-19(18)24-20(25-21)16-4-1-9-23-14-16;26-21-17-14-16(27-13-3-4-15-8-11-22-12-9-15)6-7-18(17)24-20(25-21)19-5-1-2-10-23-19/h1,4-11,13-14H,2-3,12H2,(H,28,29,30);1,4-11,13-14H,2-3,12H2,(H,25,26,27);3-10,12-13H,1-2,11H2,(H,28,29,30);3-10,12-13H,1-2,11H2,(H,25,26,27);1,4-11,13-14H,2-3,12H2,(H,24,25,26);1-2,5-12,14H,3-4,13H2,(H,24,25,26)
InChIKeyZKMDEBAMSHEVAG-UHFFFAOYSA-N
MW2353.31 g/mol
LogP24.90
Rot. Bonds36

About 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one

2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one (PubChem CID 165107667) has the molecular formula C130H106Cl2F6N22O12 and a molecular weight of 2353.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
PubChem CID165107667
Molecular FormulaC130H106Cl2F6N22O12
Molecular Weight2353.31 g/mol
Exact Mass2350.76
IUPAC Name2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cc(Cl)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(Cl)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2ccccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccnc2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C23H18F3N3O2.C22H18ClN3O2.C22H17F3N4O2.C21H17ClN4O2.2C21H18N4O2/c24-23(25,26)17-5-1-4-16(13-17)21-28-20-7-6-18(14-19(20)22(30)29-21)31-12-2-3-15-8-10-27-11-9-15;23-17-5-1-4-16(13-17)21-25-20-7-6-18(14-19(20)22(27)26-21)28-12-2-3-15-8-10-24-11-9-15;23-22(24,25)15-7-10-27-19(12-15)20-28-18-4-3-16(13-17(18)21(30)29-20)31-11-1-2-14-5-8-26-9-6-14;22-15-7-10-24-19(12-15)20-25-18-4-3-16(13-17(18)21(27)26-20)28-11-1-2-14-5-8-23-9-6-14;26-21-18-13-17(27-12-2-3-15-7-10-22-11-8-15)5-6-19(18)24-20(25-21)16-4-1-9-23-14-16;26-21-17-14-16(27-13-3-4-15-8-11-22-12-9-15)6-7-18(17)24-20(25-21)19-5-1-2-10-23-19/h1,4-11,13-14H,2-3,12H2,(H,28,29,30);1,4-11,13-14H,2-3,12H2,(H,25,26,27);3-10,12-13H,1-2,11H2,(H,28,29,30);3-10,12-13H,1-2,11H2,(H,25,26,27);1,4-11,13-14H,2-3,12H2,(H,24,25,26);1-2,5-12,14H,3-4,13H2,(H,24,25,26)
InChIKeyZKMDEBAMSHEVAG-UHFFFAOYSA-N
XLogP24.90
TPSA458.78 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002353.31
LogP ≤ 524.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 123818813
6-(3-pyridin-4-ylpropoxy)-2-[5-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one
CID 146308697
2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 146308851
2-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
CID 146308852
6-(3-pyridin-4-ylpropoxy)-2-[6-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308916
6-(3-pyridin-4-ylpropoxy)-2-[6-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one
CID 146308917
6-(3-pyridin-4-ylpropoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146309113
8-methyl-6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146309135
8-methyl-6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one
CID 146309136
6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146309156
6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one
CID 146309157
ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 157439210

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one (CID 165107667) is 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(C(F)(F)F)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cc(Cl)ccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccc(Cl)c2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2ccccn2)nc2ccc(OCCCc3ccncc3)cc12.O=c1[nH]c(-c2cccnc2)nc2ccc(OCCCc3ccncc3)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one?
The InChIKey is ZKMDEBAMSHEVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2.C22H18ClN3O2.C22H17F3N4O2.C21H17ClN4O2.2C21H18N4O2/c24-23(25,26)17-5-1-4-16(13-17)21-28-20-7-6-18(14-19(20)22(30)29-21)31-12-2-3-15-8-10-27-11-9-15;23-17-5-1-4-16(13-17)21-25-20-7-6-18(14-19(20)22(27)26-21)28-12-2-3-15-8-10-24-11-9-15;23-22(24,25)15-7-10-27-19(12-15)20-28-18-4-3-16(13-17(18)21(30)29-20)31-11-1-2-14-5-8-26-9-6-14;22-15-7-10-24-19(12-15)20-25-18-4-3-16(13-17(18)21(27)26-20)28-11-1-2-14-5-8-23-9-6-14;26-21-18-13-17(27-12-2-3-15-7-10-22-11-8-15)5-6-19(18)24-20(25-21)16-4-1-9-23-14-16;26-21-17-14-16(27-13-3-4-15-8-11-22-12-9-15)6-7-18(17)24-20(25-21)19-5-1-2-10-23-19/h1,4-11,13-14H,2-3,12H2,(H,28,29,30);1,4-11,13-14H,2-3,12H2,(H,25,26,27);3-10,12-13H,1-2,11H2,(H,28,29,30);3-10,12-13H,1-2,11H2,(H,25,26,27);1,4-11,13-14H,2-3,12H2,(H,24,25,26);1-2,5-12,14H,3-4,13H2,(H,24,25,26).
What are the key properties of 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one?
2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one has a molecular weight of 2353.31 g/mol, XLogP of 24.90, 36 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-(4-chloro-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;6-(3-pyridin-4-ylpropoxy)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;2-pyridin-2-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 165107667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).