ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate

C17H21N3O3 — CID 70240562

IUPACethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCC(N)CC2)c2ncccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-4,9-12H,2,5-8,18H2,1H3
InChIKeySQBYGQAQUKDTQX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds3

About ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 70240562) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID70240562
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCC(N)CC2)c2ncccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-4,9-12H,2,5-8,18H2,1H3
InChIKeySQBYGQAQUKDTQX-UHFFFAOYSA-N
XLogP2.02
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
CID 139840840
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70240187
ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54392198
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70240373
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 84681720

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 70240562) is ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CCC(N)CC2)c2ncccc2c1=O.
What is the InChIKey of ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SQBYGQAQUKDTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-4,9-12H,2,5-8,18H2,1H3.
What are the key properties of ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 70240562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).