2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine

C20H21Cl2N3 — CID 158260964

IUPAC2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(NCc1ccc(Cl)cc1)C(N)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H21Cl2N3/c1-20(2,25-12-13-3-5-14(21)6-4-13)19(23)17-9-10-24-18-11-15(22)7-8-16(17)18/h3-11,19,25H,12,23H2,1-2H3
InChIKeyGHWDEWBCKDYOMD-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.11
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine (PubChem CID 158260964) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
PubChem CID158260964
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(NCc1ccc(Cl)cc1)C(N)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H21Cl2N3/c1-20(2,25-12-13-3-5-14(21)6-4-13)19(23)17-9-10-24-18-11-15(22)7-8-16(17)18/h3-11,19,25H,12,23H2,1-2H3
InChIKeyGHWDEWBCKDYOMD-UHFFFAOYSA-N
XLogP5.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine (CID 158260964) is 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine is CC(C)(NCc1ccc(Cl)cc1)C(N)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
The InChIKey is GHWDEWBCKDYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c1-20(2,25-12-13-3-5-14(21)6-4-13)19(23)17-9-10-24-18-11-15(22)7-8-16(17)18/h3-11,19,25H,12,23H2,1-2H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine has a molecular weight of 374.32 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 158260964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).