N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine

C24H30N4 — CID 174335664

IUPACN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C24H30N4/c1-16-6-5-7-21(18(16)3)19(4)27-24-14-17(2)26-23-9-8-20(15-22(23)24)28-12-10-25-11-13-28/h5-9,14-15,19,25H,10-13H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyHFPMMOGAQLTXFY-LJQANCHMSA-N
MW374.53 g/mol
LogP4.74
Rot. Bonds4

About N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine (PubChem CID 174335664) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
PubChem CID174335664
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C24H30N4/c1-16-6-5-7-21(18(16)3)19(4)27-24-14-17(2)26-23-9-8-20(15-22(23)24)28-12-10-25-11-13-28/h5-9,14-15,19,25H,10-13H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyHFPMMOGAQLTXFY-LJQANCHMSA-N
XLogP4.74
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 170555847
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 170555816
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658316
2-methyl-N-[1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 175500249
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine
CID 156527282
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(4-piperidin-1-ylpiperazin-1-yl)quinolin-4-amine
CID 175500213
5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile
CID 175500321
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-7-methoxy-2-methyl-6-piperazin-1-ylquinolin-4-amine;formic acid
CID 175500287
6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 171658325
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
1-[4-[4-[[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]amino]-2-methylquinolin-6-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 170555844

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine?
The IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine (CID 174335664) is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine?
The canonical SMILES for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine is Cc1cc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc2n1.
What is the InChIKey of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine?
The InChIKey is HFPMMOGAQLTXFY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4/c1-16-6-5-7-21(18(16)3)19(4)27-24-14-17(2)26-23-9-8-20(15-22(23)24)28-12-10-25-11-13-28/h5-9,14-15,19,25H,10-13H2,1-4H3,(H,26,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine?
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine has a molecular weight of 374.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine is sourced from PubChem (CID 174335664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).