7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine

C25H24ClN3 — CID 68618100

IUPAC7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
SMILESCNC(Cc1ccccc1)c1ccc(CNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C25H24ClN3/c1-27-24(15-18-5-3-2-4-6-18)20-9-7-19(8-10-20)17-29-23-13-14-28-25-16-21(26)11-12-22(23)25/h2-14,16,24,27H,15,17H2,1H3,(H,28,29)
InChIKeyRCUZVJDJLHJXBB-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.00
Rot. Bonds7

About 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine

7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine (PubChem CID 68618100) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
PubChem CID68618100
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
SMILESCNC(Cc1ccccc1)c1ccc(CNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C25H24ClN3/c1-27-24(15-18-5-3-2-4-6-18)20-9-7-19(8-10-20)17-29-23-13-14-28-25-16-21(26)11-12-22(23)25/h2-14,16,24,27H,15,17H2,1H3,(H,28,29)
InChIKeyRCUZVJDJLHJXBB-UHFFFAOYSA-N
XLogP6.00
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[[3-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 91561178
7-chloro-N-[[3-[2-[4-(dimethylamino)phenyl]-1-(methylamino)ethyl]phenyl]methyl]quinolin-4-amine
CID 90990335
N-[[4-[amino-(7-chloroquinolin-4-yl)methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 18933497
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
CID 10433026
CID 10433026
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
N-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-7-chloroquinolin-4-amine
CID 68634794
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
CID 10409748
CID 10409748

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine (CID 68618100) is 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine is CNC(Cc1ccccc1)c1ccc(CNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is RCUZVJDJLHJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-27-24(15-18-5-3-2-4-6-18)20-9-7-19(8-10-20)17-29-23-13-14-28-25-16-21(26)11-12-22(23)25/h2-14,16,24,27H,15,17H2,1H3,(H,28,29).
What are the key properties of 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine?
7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 401.94 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 68618100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).