5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide

C18H23N3O3 — CID 82212613

IUPAC5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCOCCn1cc(C(=O)NC2CCCC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H23N3O3/c1-24-10-9-21-11-13(18(23)20-12-5-2-3-6-12)17(22)16-14(19)7-4-8-15(16)21/h4,7-8,11-12H,2-3,5-6,9-10,19H2,1H3,(H,20,23)
InChIKeyWLJRKUTYSIPZQU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide

5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide (PubChem CID 82212613) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
PubChem CID82212613
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCOCCn1cc(C(=O)NC2CCCC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H23N3O3/c1-24-10-9-21-11-13(18(23)20-12-5-2-3-6-12)17(22)16-14(19)7-4-8-15(16)21/h4,7-8,11-12H,2-3,5-6,9-10,19H2,1H3,(H,20,23)
InChIKeyWLJRKUTYSIPZQU-UHFFFAOYSA-N
XLogP1.90
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
N-cyclohexyl-4-hydroxy-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 67104862
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide (CID 82212613) is 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide is COCCn1cc(C(=O)NC2CCCC2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is WLJRKUTYSIPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-10-9-21-11-13(18(23)20-12-5-2-3-6-12)17(22)16-14(19)7-4-8-15(16)21/h4,7-8,11-12H,2-3,5-6,9-10,19H2,1H3,(H,20,23).
What are the key properties of 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).