5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide

C18H21N3O2 — CID 94947062

IUPAC5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
SMILESNc1cccc2c1c(=O)c(C(=O)NC1CC1)cn2C1CCCC1
InChIInChI=1S/C18H21N3O2/c19-14-6-3-7-15-16(14)17(22)13(18(23)20-11-8-9-11)10-21(15)12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9,19H2,(H,20,23)
InChIKeyDVABELGSQSLKRA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.59
Rot. Bonds3

About 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide

5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide (PubChem CID 94947062) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
PubChem CID94947062
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
SMILESNc1cccc2c1c(=O)c(C(=O)NC1CC1)cn2C1CCCC1
InChIInChI=1S/C18H21N3O2/c19-14-6-3-7-15-16(14)17(22)13(18(23)20-11-8-9-11)10-21(15)12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9,19H2,(H,20,23)
InChIKeyDVABELGSQSLKRA-UHFFFAOYSA-N
XLogP2.59
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.59
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-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 70458154
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 58102888

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide (CID 94947062) is 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide is Nc1cccc2c1c(=O)c(C(=O)NC1CC1)cn2C1CCCC1.
What is the InChIKey of 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide?
The InChIKey is DVABELGSQSLKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-14-6-3-7-15-16(14)17(22)13(18(23)20-11-8-9-11)10-21(15)12-4-1-2-5-12/h3,6-7,10-12H,1-2,4-5,8-9,19H2,(H,20,23).
What are the key properties of 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide?
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).