(3-methylphenyl)-(2-methylquinolin-6-yl)methanone

C18H15NO — CID 81216684

IUPAC(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1cccc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C18H15NO/c1-12-4-3-5-15(10-12)18(20)16-8-9-17-14(11-16)7-6-13(2)19-17/h3-11H,1-2H3
InChIKeyNLYRDVITFALWTG-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds2

About (3-methylphenyl)-(2-methylquinolin-6-yl)methanone

(3-methylphenyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 81216684) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-methylphenyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
PubChem CID81216684
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1cccc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C18H15NO/c1-12-4-3-5-15(10-12)18(20)16-8-9-17-14(11-16)7-6-13(2)19-17/h3-11H,1-2H3
InChIKeyNLYRDVITFALWTG-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790335
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
bis(3-methylphenyl)methanone
CID 17848
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
CID 105121470
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
CID 114885310
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
CID 11053930
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (3-methylphenyl)-(2-methylquinolin-6-yl)methanone (CID 81216684) is (3-methylphenyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(2-methylquinolin-6-yl)methanone is Cc1cccc(C(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of (3-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is NLYRDVITFALWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-4-3-5-15(10-12)18(20)16-8-9-17-14(11-16)7-6-13(2)19-17/h3-11H,1-2H3.
What are the key properties of (3-methylphenyl)-(2-methylquinolin-6-yl)methanone?
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 81216684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).