6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C128H87Cl2N17O8 — CID 157306006

IUPAC6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(C)n1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc(O)c(Cl)c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.O=c1ccc2cc(-c3ccc(O)c(Cl)c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/2C23H15N3O.C21H14N4O.C21H17N3O.2C20H13ClN2O2/c27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;1-13-10-16(11-14(2)23-13)17-12-18-19(25)8-9-22-21(18)24-20(17)15-6-4-3-5-7-15;21-16-11-13(6-8-17(16)24)15-10-14-7-9-18(25)22-20(14)23-19(15)12-4-2-1-3-5-12;21-16-10-13(6-7-18(16)25)14-11-15-17(24)8-9-22-20(15)23-19(14)12-4-2-1-3-5-12/h2*1-14H,(H,25,26,27);1-12H,(H,22,23)(H,24,25,26);3-12H,1-2H3,(H,22,24,25);1-11,24H,(H,22,23,25);1-11,25H,(H,22,23,24)
InChIKeyBCMCBEPNKGKZOL-UHFFFAOYSA-N
MW2062.12 g/mol
LogP27.25
Rot. Bonds12

About 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 157306006) has the molecular formula C128H87Cl2N17O8 and a molecular weight of 2062.12 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID157306006
Molecular FormulaC128H87Cl2N17O8
Molecular Weight2062.12 g/mol
Exact Mass2059.63
IUPAC Name6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(C)n1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc(O)c(Cl)c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.O=c1ccc2cc(-c3ccc(O)c(Cl)c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/2C23H15N3O.C21H14N4O.C21H17N3O.2C20H13ClN2O2/c27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;1-13-10-16(11-14(2)23-13)17-12-18-19(25)8-9-22-21(18)24-20(17)15-6-4-3-5-7-15;21-16-11-13(6-8-17(16)24)15-10-14-7-9-18(25)22-20(14)23-19(15)12-4-2-1-3-5-12;21-16-10-13(6-7-18(16)25)14-11-15-17(24)8-9-22-20(15)23-19(14)12-4-2-1-3-5-12/h2*1-14H,(H,25,26,27);1-12H,(H,22,23)(H,24,25,26);3-12H,1-2H3,(H,22,24,25);1-11,24H,(H,22,23,25);1-11,25H,(H,22,23,24)
InChIKeyBCMCBEPNKGKZOL-UHFFFAOYSA-N
XLogP27.25
TPSA382.31 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.12
LogP ≤ 527.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 157306006) is 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(C)n1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc(O)c(Cl)c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.O=c1ccc2cc(-c3ccc(O)c(Cl)c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is BCMCBEPNKGKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15N3O.C21H14N4O.C21H17N3O.2C20H13ClN2O2/c27-21-11-9-18-14-19(16-8-10-20-17(13-16)7-4-12-24-20)22(26-23(18)25-21)15-5-2-1-3-6-15;27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20;26-19-9-7-15-10-16(14-6-8-17-18(11-14)23-12-22-17)20(25-21(15)24-19)13-4-2-1-3-5-13;1-13-10-16(11-14(2)23-13)17-12-18-19(25)8-9-22-21(18)24-20(17)15-6-4-3-5-7-15;21-16-11-13(6-8-17(16)24)15-10-14-7-9-18(25)22-20(14)23-19(15)12-4-2-1-3-5-12;21-16-10-13(6-7-18(16)25)14-11-15-17(24)8-9-22-20(15)23-19(14)12-4-2-1-3-5-12/h2*1-14H,(H,25,26,27);1-12H,(H,22,23)(H,24,25,26);3-12H,1-2H3,(H,22,24,25);1-11,24H,(H,22,23,25);1-11,25H,(H,22,23,24).
What are the key properties of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 2062.12 g/mol, XLogP of 27.25, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 157306006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).