ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate

C17H21N3O3 — CID 12818620

IUPACethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(C2CCCCC2)c1=O
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-14(18)12-9-6-10-19-15(12)20(16(13)21)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8,18H2,1H3
InChIKeyAKNLIEGPEJDGKI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.66
Rot. Bonds3

About ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818620) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818620
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(C2CCCCC2)c1=O
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-14(18)12-9-6-10-19-15(12)20(16(13)21)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8,18H2,1H3
InChIKeyAKNLIEGPEJDGKI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrido-[2,3-d]-pyrimidin-7-one 44
CID 5330287
Pyrido[2,3-d]pyrimidin-7-one 33
CID 5330358
Pyrido-[2,3-d]-pyrimidin-7-one 37
CID 5330280
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
Methyl 2-imino-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxylate
CID 1077411
Methyl 2-imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxylate
CID 660153
Methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
CID 132990893
1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719586
N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide
CID 118719587
1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719589
Ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
CID 118719593

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818620) is ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N)c2cccnc2n(C2CCCCC2)c1=O.
What is the InChIKey of ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is AKNLIEGPEJDGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)13-14(18)12-9-6-10-19-15(12)20(16(13)21)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8,18H2,1H3.
What are the key properties of ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).