2-phenylquinoline-4-carboxylic acid;prop-1-ene

C19H17NO2 — CID 143187114

IUPAC2-phenylquinoline-4-carboxylic acid;prop-1-ene
SMILESC=CC.O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2.C3H6/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-2/h1-10H,(H,18,19);3H,1H2,2H3
InChIKeyOAIAGYPCBLIQRS-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.79
Rot. Bonds2

About 2-phenylquinoline-4-carboxylic acid;prop-1-ene

2-phenylquinoline-4-carboxylic acid;prop-1-ene (PubChem CID 143187114) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-phenylquinoline-4-carboxylic acid;prop-1-ene.

Molecular Properties

Compound Name2-phenylquinoline-4-carboxylic acid;prop-1-ene
PubChem CID143187114
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-phenylquinoline-4-carboxylic acid;prop-1-ene
SMILESC=CC.O=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2.C3H6/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-2/h1-10H,(H,18,19);3H,1H2,2H3
InChIKeyOAIAGYPCBLIQRS-UHFFFAOYSA-N
XLogP4.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026

Frequently Asked Questions

What is the IUPAC name of 2-phenylquinoline-4-carboxylic acid;prop-1-ene?
The IUPAC name of 2-phenylquinoline-4-carboxylic acid;prop-1-ene (CID 143187114) is 2-phenylquinoline-4-carboxylic acid;prop-1-ene.
What is the SMILES notation for 2-phenylquinoline-4-carboxylic acid;prop-1-ene?
The canonical SMILES for 2-phenylquinoline-4-carboxylic acid;prop-1-ene is C=CC.O=C(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenylquinoline-4-carboxylic acid;prop-1-ene?
The InChIKey is OAIAGYPCBLIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2.C3H6/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-3-2/h1-10H,(H,18,19);3H,1H2,2H3.
What are the key properties of 2-phenylquinoline-4-carboxylic acid;prop-1-ene?
2-phenylquinoline-4-carboxylic acid;prop-1-ene has a molecular weight of 291.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinoline-4-carboxylic acid;prop-1-ene is sourced from PubChem (CID 143187114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).