(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone

C19H17NO — CID 114754669

IUPAC(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C19H17NO/c1-12-8-13(2)10-15(9-12)19(21)18-11-14(3)16-6-4-5-7-17(16)20-18/h4-11H,1-3H3
InChIKeyDWOLECXAKKUIBO-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.39
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone

(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone (PubChem CID 114754669) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
PubChem CID114754669
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C19H17NO/c1-12-8-13(2)10-15(9-12)19(21)18-11-14(3)16-6-4-5-7-17(16)20-18/h4-11H,1-3H3
InChIKeyDWOLECXAKKUIBO-UHFFFAOYSA-N
XLogP4.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754714
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
2-methoxy-1-(4-methylquinolin-2-yl)ethanone
CID 114754716
3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
CID 102647067
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
CID 122393251
1-(4-methylquinolin-2-yl)pent-4-en-1-one
CID 114754704
4-methylquinoline-2-carbaldehyde
CID 12735795
CID 58107081
CID 58107081
4-methylquinoline-2-sulfonic acid
CID 119081997
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone (CID 114754669) is (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone is Cc1cc(C)cc(C(=O)c2cc(C)c3ccccc3n2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone?
The InChIKey is DWOLECXAKKUIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-12-8-13(2)10-15(9-12)19(21)18-11-14(3)16-6-4-5-7-17(16)20-18/h4-11H,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone?
(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 114754669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).