N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine

C25H24ClN3 — CID 44819633

IUPACN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
SMILESCN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C25H24ClN3/c1-29(17-19-6-3-2-4-7-19)18-21-9-5-8-20(14-21)16-28-24-12-13-27-25-15-22(26)10-11-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)
InChIKeyKRBUJCVQKVLUHL-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.13
Rot. Bonds7

About N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine

N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine (PubChem CID 44819633) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
PubChem CID44819633
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC NameN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
SMILESCN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C25H24ClN3/c1-29(17-19-6-3-2-4-7-19)18-21-9-5-8-20(14-21)16-28-24-12-13-27-25-15-22(26)10-11-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)
InChIKeyKRBUJCVQKVLUHL-UHFFFAOYSA-N
XLogP6.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[[3-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 91561178
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
CID 133351187
3-chloro-N-[[3-[[[4-(dimethylamino)phenyl]methyl-methylamino]methyl]phenyl]methyl]acridin-9-amine
CID 90736287
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 68618100
7-chloro-N-[[3-[2-[4-(dimethylamino)phenyl]-1-(methylamino)ethyl]phenyl]methyl]quinolin-4-amine
CID 90990335
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N'-benzyl-N-(7-chloroquinolin-4-yl)-N'-(furan-3-ylmethyl)propane-1,3-diamine
CID 11407085

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine (CID 44819633) is N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine is CN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine?
The InChIKey is KRBUJCVQKVLUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-29(17-19-6-3-2-4-7-19)18-21-9-5-8-20(14-21)16-28-24-12-13-27-25-15-22(26)10-11-23(24)25/h2-15H,16-18H2,1H3,(H,27,28).
What are the key properties of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine?
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine has a molecular weight of 401.94 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 44819633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).