2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one

C147H120N22O11S — CID 157395015

IUPAC2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CS(=O)(=O)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1.NC(=O)c1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(NCc3ccccc3)ncc12
InChIInChI=1S/C27H22N4O.C27H21N3O2.C26H19N3O.C25H25N5O3S.C21H16N4O2.C21H17N3O2/c32-25-17-27(30-21-12-6-2-7-13-21)31(22-14-8-3-9-15-22)24-16-26(29-19-23(24)25)28-18-20-10-4-1-5-11-20;31-26-17-27(29-20-10-4-1-5-11-20)30(22-12-6-2-7-13-22)25-16-21(28-18-24(25)26)19-32-23-14-8-3-9-15-23;30-25-17-26(28-20-12-6-2-7-13-20)29(21-14-8-3-9-15-21)24-16-23(27-18-22(24)25)19-10-4-1-5-11-19;1-34(32,33)29-14-12-28(13-15-29)24-16-22-21(18-26-24)23(31)17-25(27-19-8-4-2-5-9-19)30(22)20-10-6-3-7-11-20;22-21(27)17-11-18-16(13-23-17)19(26)12-20(24-14-7-3-1-4-8-14)25(18)15-9-5-2-6-10-15;1-26-21-12-18-17(14-22-21)19(25)13-20(23-15-8-4-2-5-9-15)24(18)16-10-6-3-7-11-16/h1-17,19,30H,18H2,(H,28,29);1-18,29H,19H2;1-18,28H;2-11,16-18,27H,12-15H2,1H3;1-13,24H,(H2,22,27);2-14,23H,1H3
InChIKeyBMLSOJZNFXWJKR-UHFFFAOYSA-N
MW2402.79 g/mol
LogP27.82
Rot. Bonds29

About 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 157395015) has the molecular formula C147H120N22O11S and a molecular weight of 2402.79 g/mol. Its IUPAC name is 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID157395015
Molecular FormulaC147H120N22O11S
Molecular Weight2402.79 g/mol
Exact Mass2400.92
IUPAC Name2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CS(=O)(=O)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1.NC(=O)c1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(NCc3ccccc3)ncc12
InChIInChI=1S/C27H22N4O.C27H21N3O2.C26H19N3O.C25H25N5O3S.C21H16N4O2.C21H17N3O2/c32-25-17-27(30-21-12-6-2-7-13-21)31(22-14-8-3-9-15-22)24-16-26(29-19-23(24)25)28-18-20-10-4-1-5-11-20;31-26-17-27(29-20-10-4-1-5-11-20)30(22-12-6-2-7-13-22)25-16-21(28-18-24(25)26)19-32-23-14-8-3-9-15-23;30-25-17-26(28-20-12-6-2-7-13-20)29(21-14-8-3-9-15-21)24-16-23(27-18-22(24)25)19-10-4-1-5-11-19;1-34(32,33)29-14-12-28(13-15-29)24-16-22-21(18-26-24)23(31)17-25(27-19-8-4-2-5-9-19)30(22)20-10-6-3-7-11-20;22-21(27)17-11-18-16(13-23-17)19(26)12-20(24-14-7-3-1-4-8-14)25(18)15-9-5-2-6-10-15;1-26-21-12-18-17(14-22-21)19(25)13-20(23-15-8-4-2-5-9-15)24(18)16-10-6-3-7-11-16/h1-17,19,30H,18H2,(H,28,29);1-18,29H,19H2;1-18,28H;2-11,16-18,27H,12-15H2,1H3;1-13,24H,(H2,22,27);2-14,23H,1H3
InChIKeyBMLSOJZNFXWJKR-UHFFFAOYSA-N
XLogP27.82
TPSA395.72 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.79
LogP ≤ 527.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one (CID 157395015) is 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one is COc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CS(=O)(=O)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1.NC(=O)c1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(NCc3ccccc3)ncc12.
What is the InChIKey of 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is BMLSOJZNFXWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O.C27H21N3O2.C26H19N3O.C25H25N5O3S.C21H16N4O2.C21H17N3O2/c32-25-17-27(30-21-12-6-2-7-13-21)31(22-14-8-3-9-15-22)24-16-26(29-19-23(24)25)28-18-20-10-4-1-5-11-20;31-26-17-27(29-20-10-4-1-5-11-20)30(22-12-6-2-7-13-22)25-16-21(28-18-24(25)26)19-32-23-14-8-3-9-15-23;30-25-17-26(28-20-12-6-2-7-13-20)29(21-14-8-3-9-15-21)24-16-23(27-18-22(24)25)19-10-4-1-5-11-19;1-34(32,33)29-14-12-28(13-15-29)24-16-22-21(18-26-24)23(31)17-25(27-19-8-4-2-5-9-19)30(22)20-10-6-3-7-11-20;22-21(27)17-11-18-16(13-23-17)19(26)12-20(24-14-7-3-1-4-8-14)25(18)15-9-5-2-6-10-15;1-26-21-12-18-17(14-22-21)19(25)13-20(23-15-8-4-2-5-9-15)24(18)16-10-6-3-7-11-16/h1-17,19,30H,18H2,(H,28,29);1-18,29H,19H2;1-18,28H;2-11,16-18,27H,12-15H2,1H3;1-13,24H,(H2,22,27);2-14,23H,1H3.
What are the key properties of 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 2402.79 g/mol, XLogP of 27.82, 29 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 157395015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).