ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate

C24H23N3O3 — CID 142225623

IUPACethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2nc1C
InChIInChI=1S/C24H23N3O3/c1-3-30-24(29)19-14-20-21(28)15-22(26-17-10-6-4-7-11-17)27(23(20)25-16(19)2)18-12-8-5-9-13-18/h5-6,8-15,26H,3-4,7H2,1-2H3
InChIKeyCFOXFAPGJITTKD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.52
Rot. Bonds5

About ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate

ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate (PubChem CID 142225623) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate
PubChem CID142225623
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2nc1C
InChIInChI=1S/C24H23N3O3/c1-3-30-24(29)19-14-20-21(28)15-22(26-17-10-6-4-7-11-17)27(23(20)25-16(19)2)18-12-8-5-9-13-18/h5-6,8-15,26H,3-4,7H2,1-2H3
InChIKeyCFOXFAPGJITTKD-UHFFFAOYSA-N
XLogP4.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

2-(cyclohexa-1,5-dien-1-ylamino)-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;prop-1-ene;(E)-prop-1-en-1-ol
CID 142225332
2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225594
2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
CID 142224612
2-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)amino]acetamide
CID 20790439
N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
CID 143113448
ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 3076505
N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide
CID 20791204
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
ethyl 3-fluoro-7-(3-fluoroanilino)-8-(3-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxylate
CID 20791165
(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide
CID 20790976
2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142225323
N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide
CID 67564353

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate (CID 142225623) is ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2nc1C.
What is the InChIKey of ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is CFOXFAPGJITTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-30-24(29)19-14-20-21(28)15-22(26-17-10-6-4-7-11-17)27(23(20)25-16(19)2)18-12-8-5-9-13-18/h5-6,8-15,26H,3-4,7H2,1-2H3.
What are the key properties of ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate?
ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(cyclohexa-1,5-dien-1-ylamino)-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 142225623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).