(1-phenylcyclopropyl)-quinolin-5-ylmethanone

C19H15NO — CID 81197158

IUPAC(1-phenylcyclopropyl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)C1(c2ccccc2)CC1
InChIInChI=1S/C19H15NO/c21-18(19(11-12-19)14-6-2-1-3-7-14)16-8-4-10-17-15(16)9-5-13-20-17/h1-10,13H,11-12H2
InChIKeyQREXQNHQOGJYGO-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.15
Rot. Bonds3

About (1-phenylcyclopropyl)-quinolin-5-ylmethanone

(1-phenylcyclopropyl)-quinolin-5-ylmethanone (PubChem CID 81197158) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-quinolin-5-ylmethanone
PubChem CID81197158
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name(1-phenylcyclopropyl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)C1(c2ccccc2)CC1
InChIInChI=1S/C19H15NO/c21-18(19(11-12-19)14-6-2-1-3-7-14)16-8-4-10-17-15(16)9-5-13-20-17/h1-10,13H,11-12H2
InChIKeyQREXQNHQOGJYGO-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclohexyl)-quinolin-5-ylmethanone
CID 116550567
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-quinolin-5-ylmethanone?
The IUPAC name of (1-phenylcyclopropyl)-quinolin-5-ylmethanone (CID 81197158) is (1-phenylcyclopropyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (1-phenylcyclopropyl)-quinolin-5-ylmethanone?
The canonical SMILES for (1-phenylcyclopropyl)-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-quinolin-5-ylmethanone?
The InChIKey is QREXQNHQOGJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-18(19(11-12-19)14-6-2-1-3-7-14)16-8-4-10-17-15(16)9-5-13-20-17/h1-10,13H,11-12H2.
What are the key properties of (1-phenylcyclopropyl)-quinolin-5-ylmethanone?
(1-phenylcyclopropyl)-quinolin-5-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 81197158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).