7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine

C26H26ClN3O — CID 90720784

IUPAC7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCOc1ccc(CN(C)Cc2ccccc2Cc2cc(N)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C26H26ClN3O/c1-30(16-18-7-10-23(31-2)11-8-18)17-20-6-4-3-5-19(20)13-22-15-25(28)24-12-9-21(27)14-26(24)29-22/h3-12,14-15H,13,16-17H2,1-2H3,(H2,28,29)
InChIKeyGYTLZVHJGRJXQM-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.70
Rot. Bonds7

About 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine

7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine (PubChem CID 90720784) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
PubChem CID90720784
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCOc1ccc(CN(C)Cc2ccccc2Cc2cc(N)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C26H26ClN3O/c1-30(16-18-7-10-23(31-2)11-8-18)17-20-6-4-3-5-19(20)13-22-15-25(28)24-12-9-21(27)14-26(24)29-22/h3-12,14-15H,13,16-17H2,1-2H3,(H2,28,29)
InChIKeyGYTLZVHJGRJXQM-UHFFFAOYSA-N
XLogP5.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine with MolForge

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Related Compounds

2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
4-amino-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzaldehyde;ethane
CID 170585701
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 16567666

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine (CID 90720784) is 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine is COc1ccc(CN(C)Cc2ccccc2Cc2cc(N)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is GYTLZVHJGRJXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-30(16-18-7-10-23(31-2)11-8-18)17-20-6-4-3-5-19(20)13-22-15-25(28)24-12-9-21(27)14-26(24)29-22/h3-12,14-15H,13,16-17H2,1-2H3,(H2,28,29).
What are the key properties of 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 431.97 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 90720784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).