4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid

C16H13N3O2 — CID 79192993

IUPAC4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1NC1C=CC(C(=O)O)C1
InChIInChI=1S/C16H13N3O2/c17-8-11-9-18-14-4-2-1-3-13(14)15(11)19-12-6-5-10(7-12)16(20)21/h1-6,9-10,12H,7H2,(H,18,19)(H,20,21)
InChIKeyDYPPEDHMLSFUNQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.55
Rot. Bonds3

About 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192993) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192993
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1NC1C=CC(C(=O)O)C1
InChIInChI=1S/C16H13N3O2/c17-8-11-9-18-14-4-2-1-3-13(14)15(11)19-12-6-5-10(7-12)16(20)21/h1-6,9-10,12H,7H2,(H,18,19)(H,20,21)
InChIKeyDYPPEDHMLSFUNQ-UHFFFAOYSA-N
XLogP2.55
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 167970152
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-[(2-cyanophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216600
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-[(3-cyanoquinolin-4-yl)amino]-4-methylpentanoic acid
CID 62042866
4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
CID 113485505

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79192993) is 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid is N#Cc1cnc2ccccc2c1NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is DYPPEDHMLSFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-8-11-9-18-14-4-2-1-3-13(14)15(11)19-12-6-5-10(7-12)16(20)21/h1-6,9-10,12H,7H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).