2-(prop-2-ynylamino)-1-quinolin-7-ylethanone

C14H12N2O — CID 116589414

IUPAC2-(prop-2-ynylamino)-1-quinolin-7-ylethanone
SMILESC#CCNCC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C14H12N2O/c1-2-7-15-10-14(17)12-6-5-11-4-3-8-16-13(11)9-12/h1,3-6,8-9,15H,7,10H2
InChIKeyUAAHUXAZLZDUJC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.64
Rot. Bonds4

About 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone

2-(prop-2-ynylamino)-1-quinolin-7-ylethanone (PubChem CID 116589414) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-1-quinolin-7-ylethanone
PubChem CID116589414
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(prop-2-ynylamino)-1-quinolin-7-ylethanone
SMILESC#CCNCC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C14H12N2O/c1-2-7-15-10-14(17)12-6-5-11-4-3-8-16-13(11)9-12/h1,3-6,8-9,15H,7,10H2
InChIKeyUAAHUXAZLZDUJC-UHFFFAOYSA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
1-(methylamino)ethyl quinoline-7-carboxylate
CID 141347103
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
2-methyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-one
CID 115790857
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
N-(hydroxymethyl)-2-methylbutanamide;quinoline-7-carboxylic acid
CID 70237798
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone?
The IUPAC name of 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone (CID 116589414) is 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone.
What is the SMILES notation for 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone?
The canonical SMILES for 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone is C#CCNCC(=O)c1ccc2cccnc2c1.
What is the InChIKey of 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone?
The InChIKey is UAAHUXAZLZDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-7-15-10-14(17)12-6-5-11-4-3-8-16-13(11)9-12/h1,3-6,8-9,15H,7,10H2.
What are the key properties of 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone?
2-(prop-2-ynylamino)-1-quinolin-7-ylethanone has a molecular weight of 224.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-1-quinolin-7-ylethanone is sourced from PubChem (CID 116589414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).