4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C49H41Cl2N9O6 — CID 160500773

IUPAC4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.Cc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.N#Cc1c(Cl)c2cccnc2[nH]c1=O
InChIInChI=1S/C23H25N3O3.C17H12ClN3O2.C9H4ClN3O/c1-15-9-11-16(12-10-15)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-17-6-3-2-4-7-17;1-23-12-6-4-11(5-7-12)10-21-16-13(3-2-8-20-16)15(18)14(9-19)17(21)22;10-7-5-2-1-3-12-8(5)13-9(14)6(7)4-11/h5,8-13,17,27H,2-4,6-7,14H2,1H3,(H,25,28);2-8H,10H2,1H3;1-3H,(H,12,13,14)
InChIKeyQRTDKGVRPBUPHW-UHFFFAOYSA-N
MW922.83 g/mol
LogP7.95
Rot. Bonds7

About 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 160500773) has the molecular formula C49H41Cl2N9O6 and a molecular weight of 922.83 g/mol. Its IUPAC name is 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID160500773
Molecular FormulaC49H41Cl2N9O6
Molecular Weight922.83 g/mol
Exact Mass921.26
IUPAC Name4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.Cc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.N#Cc1c(Cl)c2cccnc2[nH]c1=O
InChIInChI=1S/C23H25N3O3.C17H12ClN3O2.C9H4ClN3O/c1-15-9-11-16(12-10-15)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-17-6-3-2-4-7-17;1-23-12-6-4-11(5-7-12)10-21-16-13(3-2-8-20-16)15(18)14(9-19)17(21)22;10-7-5-2-1-3-12-8(5)13-9(14)6(7)4-11/h5,8-13,17,27H,2-4,6-7,14H2,1H3,(H,25,28);2-8H,10H2,1H3;1-3H,(H,12,13,14)
InChIKeyQRTDKGVRPBUPHW-UHFFFAOYSA-N
XLogP7.95
TPSA221.67 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.83
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

1-(4-Fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 54726986
1-(3-Fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 54727048
6-Fluoro-4-hydroxy-1-(4-methoxybenzyl)-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 69217806
4-Hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 54726888
4-Hydroxy-1-(4-methoxyphenyl)-2-oxo-N-(1-phenylethyl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 54726932
4-Hydroxy-1-(4-methoxybenzyl)-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 59699642
6-Chloro-4-hydroxy-1-(4-methoxybenzyl)-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 69218854
N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane
CID 143010967
N-cyclohex-2-en-1-yl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 143011188
1-benzyl-4-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile;1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide;cyclohexanamine;ethyl 1-benzyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 157650403
cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
CID 158262152
4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;cyclohexanamine;bis(N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide);ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
CID 158656499

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 160500773) is 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.Cc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.N#Cc1c(Cl)c2cccnc2[nH]c1=O.
What is the InChIKey of 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QRTDKGVRPBUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C17H12ClN3O2.C9H4ClN3O/c1-15-9-11-16(12-10-15)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-17-6-3-2-4-7-17;1-23-12-6-4-11(5-7-12)10-21-16-13(3-2-8-20-16)15(18)14(9-19)17(21)22;10-7-5-2-1-3-12-8(5)13-9(14)6(7)4-11/h5,8-13,17,27H,2-4,6-7,14H2,1H3,(H,25,28);2-8H,10H2,1H3;1-3H,(H,12,13,14).
What are the key properties of 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 922.83 g/mol, XLogP of 7.95, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160500773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).