(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C24H25N3O2 — CID 95874612

IUPAC(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H](C)c2ccon2)cc1
InChIInChI=1S/C24H25N3O2/c1-16-5-6-19-14-20(15-27(3)17(2)22-11-12-29-26-22)24(25-23(19)13-16)18-7-9-21(28-4)10-8-18/h5-14,17H,15H2,1-4H3/t17-/m1/s1
InChIKeyNBBAFZVUMZQFJN-QGZVFWFLSA-N
MW387.48 g/mol
LogP5.40
Rot. Bonds6

About (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 95874612) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID95874612
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H](C)c2ccon2)cc1
InChIInChI=1S/C24H25N3O2/c1-16-5-6-19-14-20(15-27(3)17(2)22-11-12-29-26-22)24(25-23(19)13-16)18-7-9-21(28-4)10-8-18/h5-14,17H,15H2,1-4H3/t17-/m1/s1
InChIKeyNBBAFZVUMZQFJN-QGZVFWFLSA-N
XLogP5.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine 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-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
CID 45166310
(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42194996
(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
CID 56718220
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774
(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 25279564
N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 72566384
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 77087376
3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one
CID 56718741

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 95874612) is (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H](C)c2ccon2)cc1.
What is the InChIKey of (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is NBBAFZVUMZQFJN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-5-6-19-14-20(15-27(3)17(2)22-11-12-29-26-22)24(25-23(19)13-16)18-7-9-21(28-4)10-8-18/h5-14,17H,15H2,1-4H3/t17-/m1/s1.
What are the key properties of (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 387.48 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 95874612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).