2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide

C18H21N3O2 — CID 90219529

IUPAC2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC2CCCC2)c(=O)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-11-21-14-10-6-5-9-13(14)16(22)15(17(21)19)18(23)20-12-7-3-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11,19H2,(H,20,23)
InChIKeyHDWUKMYUWTVIOW-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide

2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 90219529) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID90219529
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC2CCCC2)c(=O)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-11-21-14-10-6-5-9-13(14)16(22)15(17(21)19)18(23)20-12-7-3-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11,19H2,(H,20,23)
InChIKeyHDWUKMYUWTVIOW-UHFFFAOYSA-N
XLogP2.44
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 90219529) is 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(N)c(C(=O)NC2CCCC2)c(=O)c2ccccc21.
What is the InChIKey of 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is HDWUKMYUWTVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-11-21-14-10-6-5-9-13(14)16(22)15(17(21)19)18(23)20-12-7-3-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11,19H2,(H,20,23).
What are the key properties of 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide?
2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 90219529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).