2-phenyl-N-prop-2-ynylquinoline-4-carboxamide

C19H14N2O — CID 17474136

IUPAC2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14N2O/c1-2-12-20-19(22)16-13-18(14-8-4-3-5-9-14)21-17-11-7-6-10-15(16)17/h1,3-11,13H,12H2,(H,20,22)
InChIKeyYDMMJKSFXUCPMX-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.26
Rot. Bonds3

About 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide

2-phenyl-N-prop-2-ynylquinoline-4-carboxamide (PubChem CID 17474136) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
PubChem CID17474136
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14N2O/c1-2-12-20-19(22)16-13-18(14-8-4-3-5-9-14)21-17-11-7-6-10-15(16)17/h1,3-11,13H,12H2,(H,20,22)
InChIKeyYDMMJKSFXUCPMX-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide (CID 17474136) is 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide is C#CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide?
The InChIKey is YDMMJKSFXUCPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-12-20-19(22)16-13-18(14-8-4-3-5-9-14)21-17-11-7-6-10-15(16)17/h1,3-11,13H,12H2,(H,20,22).
What are the key properties of 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide?
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-ynylquinoline-4-carboxamide is sourced from PubChem (CID 17474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).