4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine

C19H26ClN3 — CID 69198675

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)CNC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H26ClN3/c1-13(2)12-22-15-4-6-16(7-5-15)23-18-9-10-21-19-11-14(20)3-8-17(18)19/h3,8-11,13,15-16,22H,4-7,12H2,1-2H3,(H,21,23)
InChIKeyIPEULUCSINUDEY-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.86
Rot. Bonds5

About 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine

4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine (PubChem CID 69198675) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
PubChem CID69198675
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)CNC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H26ClN3/c1-13(2)12-22-15-4-6-16(7-5-15)23-18-9-10-21-19-11-14(20)3-8-17(18)19/h3,8-11,13,15-16,22H,4-7,12H2,1-2H3,(H,21,23)
InChIKeyIPEULUCSINUDEY-UHFFFAOYSA-N
XLogP4.86
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine (CID 69198675) is 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine is CC(C)CNC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The InChIKey is IPEULUCSINUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-13(2)12-22-15-4-6-16(7-5-15)23-18-9-10-21-19-11-14(20)3-8-17(18)19/h3,8-11,13,15-16,22H,4-7,12H2,1-2H3,(H,21,23).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine has a molecular weight of 331.89 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 69198675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).