7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine

C25H23Cl2N3 — CID 44819803

IUPAC7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C25H23Cl2N3/c1-30(16-18-5-7-21(26)8-6-18)17-20-4-2-3-19(13-20)15-29-24-11-12-28-25-14-22(27)9-10-23(24)25/h2-14H,15-17H2,1H3,(H,28,29)
InChIKeyMKYWAKVWSOIUCP-UHFFFAOYSA-N
MW436.39 g/mol
LogP6.79
Rot. Bonds7

About 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine

7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine (PubChem CID 44819803) has the molecular formula C25H23Cl2N3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
PubChem CID44819803
Molecular FormulaC25H23Cl2N3
Molecular Weight436.39 g/mol
Exact Mass435.13
IUPAC Name7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C25H23Cl2N3/c1-30(16-18-5-7-21(26)8-6-18)17-20-4-2-3-19(13-20)15-29-24-11-12-28-25-14-22(27)9-10-23(24)25/h2-14H,15-17H2,1H3,(H,28,29)
InChIKeyMKYWAKVWSOIUCP-UHFFFAOYSA-N
XLogP6.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine (CID 44819803) is 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine is CN(Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is MKYWAKVWSOIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3/c1-30(16-18-5-7-21(26)8-6-18)17-20-4-2-3-19(13-20)15-29-24-11-12-28-25-14-22(27)9-10-23(24)25/h2-14H,15-17H2,1H3,(H,28,29).
What are the key properties of 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine?
7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 436.39 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 44819803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).