1-quinolin-7-ylprop-2-en-1-one

C12H9NO — CID 103453564

IUPAC1-quinolin-7-ylprop-2-en-1-one
SMILESC=CC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H9NO/c1-2-12(14)10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2
InChIKeyCCJKZDJABUBLAN-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.60
Rot. Bonds2

About 1-quinolin-7-ylprop-2-en-1-one

1-quinolin-7-ylprop-2-en-1-one (PubChem CID 103453564) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-quinolin-7-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-quinolin-7-ylprop-2-en-1-one
PubChem CID103453564
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name1-quinolin-7-ylprop-2-en-1-one
SMILESC=CC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H9NO/c1-2-12(14)10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2
InChIKeyCCJKZDJABUBLAN-UHFFFAOYSA-N
XLogP2.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206
4-quinolin-7-ylbenzoic acid
CID 81224662
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
CID 115790968
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
2-methyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-one
CID 115790857
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-ylprop-2-en-1-one?
The IUPAC name of 1-quinolin-7-ylprop-2-en-1-one (CID 103453564) is 1-quinolin-7-ylprop-2-en-1-one.
What is the SMILES notation for 1-quinolin-7-ylprop-2-en-1-one?
The canonical SMILES for 1-quinolin-7-ylprop-2-en-1-one is C=CC(=O)c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-ylprop-2-en-1-one?
The InChIKey is CCJKZDJABUBLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-12(14)10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2.
What are the key properties of 1-quinolin-7-ylprop-2-en-1-one?
1-quinolin-7-ylprop-2-en-1-one has a molecular weight of 183.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-ylprop-2-en-1-one is sourced from PubChem (CID 103453564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).