2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one

C19H19NO — CID 62915508

IUPAC2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(-c3ccccc3)cccc2c(=O)c1C(C)C
InChIInChI=1S/C19H19NO/c1-12(2)17-13(3)20-18-15(14-8-5-4-6-9-14)10-7-11-16(18)19(17)21/h4-12H,1-3H3,(H,20,21)
InChIKeyOELKUECXPJQBGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.63
Rot. Bonds2

About 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one

2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one (PubChem CID 62915508) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one
PubChem CID62915508
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(-c3ccccc3)cccc2c(=O)c1C(C)C
InChIInChI=1S/C19H19NO/c1-12(2)17-13(3)20-18-15(14-8-5-4-6-9-14)10-7-11-16(18)19(17)21/h4-12H,1-3H3,(H,20,21)
InChIKeyOELKUECXPJQBGI-UHFFFAOYSA-N
XLogP4.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one (CID 62915508) is 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one is Cc1[nH]c2c(-c3ccccc3)cccc2c(=O)c1C(C)C.
What is the InChIKey of 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one?
The InChIKey is OELKUECXPJQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12(2)17-13(3)20-18-15(14-8-5-4-6-9-14)10-7-11-16(18)19(17)21/h4-12H,1-3H3,(H,20,21).
What are the key properties of 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one?
2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenyl-3-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 62915508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).