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

C88H93ClN12O15 — CID 158656499

IUPAC4-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
SMILESCCOC(=O)c1c(O)c2cccnc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.NC1CCCCC1
InChIInChI=1S/2C23H25N3O4.C19H18N2O5.C17H12ClN3O2.C6H13N/c2*1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-3-26-19(24)15-16(22)14-5-4-10-20-17(14)21(18(15)23)11-12-6-8-13(25-2)9-7-12;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;7-6-4-2-1-3-5-6/h2*5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);4-10,22H,3,11H2,1-2H3;2-8H,10H2,1H3;6H,1-5,7H2
InChIKeyICEYCBJLMPOHLS-UHFFFAOYSA-N
MW1594.23 g/mol
LogP13.03
Rot. Bonds18

About 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

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 (PubChem CID 158656499) has the molecular formula C88H93ClN12O15 and a molecular weight of 1594.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158656499
Molecular FormulaC88H93ClN12O15
Molecular Weight1594.23 g/mol
Exact Mass1592.66
IUPAC Name4-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
SMILESCCOC(=O)c1c(O)c2cccnc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.NC1CCCCC1
InChIInChI=1S/2C23H25N3O4.C19H18N2O5.C17H12ClN3O2.C6H13N/c2*1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-3-26-19(24)15-16(22)14-5-4-10-20-17(14)21(18(15)23)11-12-6-8-13(25-2)9-7-12;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;7-6-4-2-1-3-5-6/h2*5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);4-10,22H,3,11H2,1-2H3;2-8H,10H2,1H3;6H,1-5,7H2
InChIKeyICEYCBJLMPOHLS-UHFFFAOYSA-N
XLogP13.03
TPSA371.48 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001594.23
LogP ≤ 513.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

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
Bis(ethyl 1-benzyl-4-chloro-2-oxo-1,8-naphthyridine-3-carboxylate);ethyl 1-benzyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 1-benzyl-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxylate;piperazine
CID 157816954
bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carbonitrile);4-chloro-2-oxo-1H-1,5-naphthyridine-3-carbonitrile;cyclohexanamine;bis(N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide);ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carboxylate
CID 158081291
bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,7-naphthyridine-3-carbonitrile);4-chloro-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;cyclohexanamine;bis(N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,7-naphthyridine-3-carboxamide);ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,7-naphthyridine-3-carboxylate
CID 158118334
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;4-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 159440781
bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carbonitrile);4-chloro-2-oxo-1H-1,6-naphthyridine-3-carbonitrile;cyclohexanamine;bis(N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxamide);ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate
CID 159609504
bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carbonitrile);cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxamide;N-cyclohexyl-4-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxamide;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate
CID 159677170
1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide;bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonitrile);cyclohexanamine;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 160311943
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
2-Chloropyridine-3-carboxylic acid;diethyl propanedioate;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;bis(2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid);bis(1-[(4-methoxyphenyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione);trichloromethyl carbonochloridate
CID 161227447
bis(4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carbonitrile);cyclohexanamine;bis(N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide);ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,5-naphthyridine-3-carboxylate
CID 161590565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(O)c2cccnc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.NC1CCCCC1.
What is the InChIKey of 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?
The InChIKey is ICEYCBJLMPOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N3O4.C19H18N2O5.C17H12ClN3O2.C6H13N/c2*1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-3-26-19(24)15-16(22)14-5-4-10-20-17(14)21(18(15)23)11-12-6-8-13(25-2)9-7-12;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;7-6-4-2-1-3-5-6/h2*5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);4-10,22H,3,11H2,1-2H3;2-8H,10H2,1H3;6H,1-5,7H2.
What are the key properties of 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?
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 has a molecular weight of 1594.23 g/mol, XLogP of 13.03, 18 rotatable bonds, 6 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 158656499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).