5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide

C18H23N3O2 — CID 94947005

IUPAC5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H23N3O2/c1-2-21-11-13(18(23)20-12-7-4-3-5-8-12)17(22)16-14(19)9-6-10-15(16)21/h6,9-12H,2-5,7-8,19H2,1H3,(H,20,23)
InChIKeyHRLYOWCCTBYEJE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.67
Rot. Bonds3

About 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide

5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 94947005) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID94947005
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H23N3O2/c1-2-21-11-13(18(23)20-12-7-4-3-5-8-12)17(22)16-14(19)9-6-10-15(16)21/h6,9-12H,2-5,7-8,19H2,1H3,(H,20,23)
InChIKeyHRLYOWCCTBYEJE-UHFFFAOYSA-N
XLogP2.67
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
CID 82212559
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide (CID 94947005) is 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is HRLYOWCCTBYEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-21-11-13(18(23)20-12-7-4-3-5-8-12)17(22)16-14(19)9-6-10-15(16)21/h6,9-12H,2-5,7-8,19H2,1H3,(H,20,23).
What are the key properties of 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide?
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).