1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone

C15H17NO — CID 82447892

IUPAC1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C15H17NO/c1-9(2)14-8-13(11(4)17)12-7-5-6-10(3)15(12)16-14/h5-9H,1-4H3
InChIKeyPTHBIVNKASXRKL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.87
Rot. Bonds2

About 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone

1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone (PubChem CID 82447892) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
PubChem CID82447892
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C15H17NO/c1-9(2)14-8-13(11(4)17)12-7-5-6-10(3)15(12)16-14/h5-9H,1-4H3
InChIKeyPTHBIVNKASXRKL-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82447884
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
1-(4,8-dimethylquinazolin-2-yl)ethanone
CID 84775834
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone?
The IUPAC name of 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone (CID 82447892) is 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone is CC(=O)c1cc(C(C)C)nc2c(C)cccc12.
What is the InChIKey of 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone?
The InChIKey is PTHBIVNKASXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9(2)14-8-13(11(4)17)12-7-5-6-10(3)15(12)16-14/h5-9H,1-4H3.
What are the key properties of 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone?
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone has a molecular weight of 227.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone is sourced from PubChem (CID 82447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).