2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one

C137H125ClN20O15S — CID 160937947

IUPAC2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESC.C.C.C.C.C=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(=O)NCC2=O.COc1ccc2[nH]c(=O)c3ccccc3c2n1.COc1ccc2c(c1)c(=O)[nH]c1cccnc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.O=c1[nH]c2ccc(Cl)nc2c2ccccc12.O=c1[nH]c2ccc(NCCN3CCCCC3)nc2c2ccccc12.O=c1[nH]c2ccc(OCc3ccccc3)nc2c2ccccc12.O=c1ccc2[nH]c(=O)c3ccccc3c2[nH]1
InChIInChI=1S/C19H22N4O.C19H14N2O2.C18H14N2O3S.2C13H10N2O2.2C13H10N2O.C12H7ClN2O.C12H8N2O2.5CH4/c24-19-15-7-3-2-6-14(15)18-16(21-19)8-9-17(22-18)20-10-13-23-11-4-1-5-12-23;22-19-15-9-5-4-8-14(15)18-16(20-19)10-11-17(21-18)23-12-13-6-2-1-3-7-13;1-24(23,12-6-3-2-4-7-12)20-11-14-16(21)10-19-18(22)13-8-5-9-15(20)17(13)14;1-17-8-4-5-9-10(7-8)13(16)15-11-3-2-6-14-12(9)11;1-17-11-7-6-10-12(15-11)8-4-2-3-5-9(8)13(16)14-10;2*1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(16)15-11;13-10-6-5-9-11(15-10)7-3-1-2-4-8(7)12(16)14-9;15-10-6-5-9-11(14-10)7-3-1-2-4-8(7)12(16)13-9;;;;;/h2-3,6-9H,1,4-5,10-13H2,(H,20,22)(H,21,24);1-11H,12H2,(H,20,22);2-9,11H,1,10H2,(H,19,22);2-7H,1H3,(H,15,16);2-7H,1H3,(H,14,16);2*2-7H,1H3,(H,15,16);1-6H,(H,14,16);1-6H,(H,13,16)(H,14,15);5*1H4
InChIKeySUCVZKXNXAYGCW-UHFFFAOYSA-N
MW2359.15 g/mol
LogP24.95
Rot. Bonds11

About 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one

2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one (PubChem CID 160937947) has the molecular formula C137H125ClN20O15S and a molecular weight of 2359.15 g/mol. Its IUPAC name is 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
PubChem CID160937947
Molecular FormulaC137H125ClN20O15S
Molecular Weight2359.15 g/mol
Exact Mass2356.90
IUPAC Name2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESC.C.C.C.C.C=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(=O)NCC2=O.COc1ccc2[nH]c(=O)c3ccccc3c2n1.COc1ccc2c(c1)c(=O)[nH]c1cccnc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.O=c1[nH]c2ccc(Cl)nc2c2ccccc12.O=c1[nH]c2ccc(NCCN3CCCCC3)nc2c2ccccc12.O=c1[nH]c2ccc(OCc3ccccc3)nc2c2ccccc12.O=c1ccc2[nH]c(=O)c3ccccc3c2[nH]1
InChIInChI=1S/C19H22N4O.C19H14N2O2.C18H14N2O3S.2C13H10N2O2.2C13H10N2O.C12H7ClN2O.C12H8N2O2.5CH4/c24-19-15-7-3-2-6-14(15)18-16(21-19)8-9-17(22-18)20-10-13-23-11-4-1-5-12-23;22-19-15-9-5-4-8-14(15)18-16(20-19)10-11-17(21-18)23-12-13-6-2-1-3-7-13;1-24(23,12-6-3-2-4-7-12)20-11-14-16(21)10-19-18(22)13-8-5-9-15(20)17(13)14;1-17-8-4-5-9-10(7-8)13(16)15-11-3-2-6-14-12(9)11;1-17-11-7-6-10-12(15-11)8-4-2-3-5-9(8)13(16)14-10;2*1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(16)15-11;13-10-6-5-9-11(15-10)7-3-1-2-4-8(7)12(16)14-9;15-10-6-5-9-11(14-10)7-3-1-2-4-8(7)12(16)13-9;;;;;/h2-3,6-9H,1,4-5,10-13H2,(H,20,22)(H,21,24);1-11H,12H2,(H,20,22);2-9,11H,1,10H2,(H,19,22);2-7H,1H3,(H,15,16);2-7H,1H3,(H,14,16);2*2-7H,1H3,(H,15,16);1-6H,(H,14,16);1-6H,(H,13,16)(H,14,15);5*1H4
InChIKeySUCVZKXNXAYGCW-UHFFFAOYSA-N
XLogP24.95
TPSA497.10 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002359.15
LogP ≤ 524.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The IUPAC name of 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one (CID 160937947) is 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one.
What is the SMILES notation for 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The canonical SMILES for 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one is C.C.C.C.C.C=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(=O)NCC2=O.COc1ccc2[nH]c(=O)c3ccccc3c2n1.COc1ccc2c(c1)c(=O)[nH]c1cccnc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.O=c1[nH]c2ccc(Cl)nc2c2ccccc12.O=c1[nH]c2ccc(NCCN3CCCCC3)nc2c2ccccc12.O=c1[nH]c2ccc(OCc3ccccc3)nc2c2ccccc12.O=c1ccc2[nH]c(=O)c3ccccc3c2[nH]1.
What is the InChIKey of 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
The InChIKey is SUCVZKXNXAYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C19H14N2O2.C18H14N2O3S.2C13H10N2O2.2C13H10N2O.C12H7ClN2O.C12H8N2O2.5CH4/c24-19-15-7-3-2-6-14(15)18-16(21-19)8-9-17(22-18)20-10-13-23-11-4-1-5-12-23;22-19-15-9-5-4-8-14(15)18-16(20-19)10-11-17(21-18)23-12-13-6-2-1-3-7-13;1-24(23,12-6-3-2-4-7-12)20-11-14-16(21)10-19-18(22)13-8-5-9-15(20)17(13)14;1-17-8-4-5-9-10(7-8)13(16)15-11-3-2-6-14-12(9)11;1-17-11-7-6-10-12(15-11)8-4-2-3-5-9(8)13(16)14-10;2*1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(16)15-11;13-10-6-5-9-11(15-10)7-3-1-2-4-8(7)12(16)14-9;15-10-6-5-9-11(14-10)7-3-1-2-4-8(7)12(16)13-9;;;;;/h2-3,6-9H,1,4-5,10-13H2,(H,20,22)(H,21,24);1-11H,12H2,(H,20,22);2-9,11H,1,10H2,(H,19,22);2-7H,1H3,(H,15,16);2-7H,1H3,(H,14,16);2*2-7H,1H3,(H,15,16);1-6H,(H,14,16);1-6H,(H,13,16)(H,14,15);5*1H4.
What are the key properties of 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one?
2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one has a molecular weight of 2359.15 g/mol, XLogP of 24.95, 11 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;methane;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;bis(3-methyl-5H-benzo[c][1,5]naphthyridin-6-one);3-(methylidene-oxo-phenyl-λ6-sulfanyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9,12-dione;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one is sourced from PubChem (CID 160937947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).