7-methyl-1-(2-methylpropyl)quinolin-4-one

C14H17NO — CID 67473379

IUPAC7-methyl-1-(2-methylpropyl)quinolin-4-one
SMILESCc1ccc2c(=O)ccn(CC(C)C)c2c1
InChIInChI=1S/C14H17NO/c1-10(2)9-15-7-6-14(16)12-5-4-11(3)8-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyFWNVUEHKONFIRC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.97
Rot. Bonds2

About 7-methyl-1-(2-methylpropyl)quinolin-4-one

7-methyl-1-(2-methylpropyl)quinolin-4-one (PubChem CID 67473379) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-methyl-1-(2-methylpropyl)quinolin-4-one.

Molecular Properties

Compound Name7-methyl-1-(2-methylpropyl)quinolin-4-one
PubChem CID67473379
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-methyl-1-(2-methylpropyl)quinolin-4-one
SMILESCc1ccc2c(=O)ccn(CC(C)C)c2c1
InChIInChI=1S/C14H17NO/c1-10(2)9-15-7-6-14(16)12-5-4-11(3)8-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyFWNVUEHKONFIRC-UHFFFAOYSA-N
XLogP2.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylpropyl)quinolin-4-one?
The IUPAC name of 7-methyl-1-(2-methylpropyl)quinolin-4-one (CID 67473379) is 7-methyl-1-(2-methylpropyl)quinolin-4-one.
What is the SMILES notation for 7-methyl-1-(2-methylpropyl)quinolin-4-one?
The canonical SMILES for 7-methyl-1-(2-methylpropyl)quinolin-4-one is Cc1ccc2c(=O)ccn(CC(C)C)c2c1.
What is the InChIKey of 7-methyl-1-(2-methylpropyl)quinolin-4-one?
The InChIKey is FWNVUEHKONFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)9-15-7-6-14(16)12-5-4-11(3)8-13(12)15/h4-8,10H,9H2,1-3H3.
What are the key properties of 7-methyl-1-(2-methylpropyl)quinolin-4-one?
7-methyl-1-(2-methylpropyl)quinolin-4-one has a molecular weight of 215.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylpropyl)quinolin-4-one is sourced from PubChem (CID 67473379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).