2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one

C16H21NO — CID 62915868

IUPAC2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one
SMILESCCCc1ccc2[nH]c(C)c(C(C)C)c(=O)c2c1
InChIInChI=1S/C16H21NO/c1-5-6-12-7-8-14-13(9-12)16(18)15(10(2)3)11(4)17-14/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyNZCUJSXTVRSAIW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds3

About 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one

2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one (PubChem CID 62915868) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one
PubChem CID62915868
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one
SMILESCCCc1ccc2[nH]c(C)c(C(C)C)c(=O)c2c1
InChIInChI=1S/C16H21NO/c1-5-6-12-7-8-14-13(9-12)16(18)15(10(2)3)11(4)17-14/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyNZCUJSXTVRSAIW-UHFFFAOYSA-N
XLogP3.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ameltolide
CID 13086
4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
5-Methylisatin
CID 11840
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-heptyl-4-hydroxyquinoline N-oxide
CID 1561
2-Undecyl-4(1H)-quinolone
CID 10063343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one (CID 62915868) is 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one is CCCc1ccc2[nH]c(C)c(C(C)C)c(=O)c2c1.
What is the InChIKey of 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one?
The InChIKey is NZCUJSXTVRSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-6-12-7-8-14-13(9-12)16(18)15(10(2)3)11(4)17-14/h7-10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one?
2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one has a molecular weight of 243.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one is sourced from PubChem (CID 62915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).