1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone

C24H28N2O3 — CID 162401183

IUPAC1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
SMILESCOc1cc(CC(C)(C)N)c(-c2c(C(C)=O)c(C)nc3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O3/c1-14-22(15(2)27)23(17-9-7-8-10-19(17)26-14)18-12-21(29-6)20(28-5)11-16(18)13-24(3,4)25/h7-12H,13,25H2,1-6H3
InChIKeyDIIDBSUKZFREHF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.71
Rot. Bonds6

About 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone

1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone (PubChem CID 162401183) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
PubChem CID162401183
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
SMILESCOc1cc(CC(C)(C)N)c(-c2c(C(C)=O)c(C)nc3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O3/c1-14-22(15(2)27)23(17-9-7-8-10-19(17)26-14)18-12-21(29-6)20(28-5)11-16(18)13-24(3,4)25/h7-12H,13,25H2,1-6H3
InChIKeyDIIDBSUKZFREHF-UHFFFAOYSA-N
XLogP4.71
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
CID 146169361
4-acridin-9-yl-3-methoxyaniline
CID 21106052
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
CID 46238176
1-(4-methoxy-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577379
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
ethyl 2-[4-[(E)-3-(2,4-dimethylquinolin-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
CID 56969740
1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone
CID 146169367
(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone (CID 162401183) is 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone is COc1cc(CC(C)(C)N)c(-c2c(C(C)=O)c(C)nc3ccccc23)cc1OC.
What is the InChIKey of 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone?
The InChIKey is DIIDBSUKZFREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-14-22(15(2)27)23(17-9-7-8-10-19(17)26-14)18-12-21(29-6)20(28-5)11-16(18)13-24(3,4)25/h7-12H,13,25H2,1-6H3.
What are the key properties of 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone?
1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone has a molecular weight of 392.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone is sourced from PubChem (CID 162401183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).