(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone

C19H17NO — CID 114754714

IUPAC(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
SMILESCCc1cccc(C(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C19H17NO/c1-3-14-7-6-8-15(12-14)19(21)18-11-13(2)16-9-4-5-10-17(16)20-18/h4-12H,3H2,1-2H3
InChIKeyZMAAYYAOCLTNSP-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.34
Rot. Bonds3

About (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone

(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone (PubChem CID 114754714) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
PubChem CID114754714
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
SMILESCCc1cccc(C(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C19H17NO/c1-3-14-7-6-8-15(12-14)19(21)18-11-13(2)16-9-4-5-10-17(16)20-18/h4-12H,3H2,1-2H3
InChIKeyZMAAYYAOCLTNSP-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754669
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
2-methoxy-1-(4-methylquinolin-2-yl)ethanone
CID 114754716
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
2-(3-ethylphenyl)quinazoline-4-carboxylic acid
CID 159702981
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722
3-ethylbenzoic acid;propane
CID 177324794
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
4-ethylsulfonyl-1-(4-methylquinolin-2-yl)butan-1-one
CID 114754641
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518
(3-ethylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105120270

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone?
The IUPAC name of (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone (CID 114754714) is (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone is CCc1cccc(C(=O)c2cc(C)c3ccccc3n2)c1.
What is the InChIKey of (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone?
The InChIKey is ZMAAYYAOCLTNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-3-14-7-6-8-15(12-14)19(21)18-11-13(2)16-9-4-5-10-17(16)20-18/h4-12H,3H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone?
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 114754714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).