(4-propylphenyl)-quinolin-4-ylmethanone

C19H17NO — CID 86811157

IUPAC(4-propylphenyl)-quinolin-4-ylmethanone
SMILESCCCc1ccc(C(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C19H17NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-13H,2,5H2,1H3
InChIKeyGPANXJSLCXSCQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.42
Rot. Bonds4

About (4-propylphenyl)-quinolin-4-ylmethanone

(4-propylphenyl)-quinolin-4-ylmethanone (PubChem CID 86811157) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-propylphenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(4-propylphenyl)-quinolin-4-ylmethanone
PubChem CID86811157
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(4-propylphenyl)-quinolin-4-ylmethanone
SMILESCCCc1ccc(C(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C19H17NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-13H,2,5H2,1H3
InChIKeyGPANXJSLCXSCQM-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(4-propylphenyl)-quinoxalin-2-ylmethanone
CID 107356711
1-quinolin-4-yldecan-1-one
CID 105086389
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415
methyl 6-propylquinoline-4-carboxylate
CID 102941688
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-quinolin-4-ylmethanone?
The IUPAC name of (4-propylphenyl)-quinolin-4-ylmethanone (CID 86811157) is (4-propylphenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (4-propylphenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (4-propylphenyl)-quinolin-4-ylmethanone is CCCc1ccc(C(=O)c2ccnc3ccccc23)cc1.
What is the InChIKey of (4-propylphenyl)-quinolin-4-ylmethanone?
The InChIKey is GPANXJSLCXSCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-13H,2,5H2,1H3.
What are the key properties of (4-propylphenyl)-quinolin-4-ylmethanone?
(4-propylphenyl)-quinolin-4-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 86811157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).