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

C24H22Cl2N4 — CID 10478229

IUPAC1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
SMILESClc1ccc2c(NC3CCCCC3Nc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H22Cl2N4/c25-15-5-7-17-19(9-11-27-23(17)13-15)29-21-3-1-2-4-22(21)30-20-10-12-28-24-14-16(26)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,27,29)(H,28,30)
InChIKeyLISWOCWHIAZFSB-UHFFFAOYSA-N
MW437.37 g/mol
LogP6.93
Rot. Bonds4

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

1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine (PubChem CID 10478229) has the molecular formula C24H22Cl2N4 and a molecular weight of 437.37 g/mol. Its IUPAC name is 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
PubChem CID10478229
Molecular FormulaC24H22Cl2N4
Molecular Weight437.37 g/mol
Exact Mass436.12
IUPAC Name1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
SMILESClc1ccc2c(NC3CCCCC3Nc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H22Cl2N4/c25-15-5-7-17-19(9-11-27-23(17)13-15)29-21-3-1-2-4-22(21)30-20-10-12-28-24-14-16(26)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,27,29)(H,28,30)
InChIKeyLISWOCWHIAZFSB-UHFFFAOYSA-N
XLogP6.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroquine
CID 2719
Piperaquine
CID 122262
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190
(-)-Chloroquine
CID 444810
N-3-Pyridinyl-9-acridinamine
CID 53313
Ucl1848
CID 9811445

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine (CID 10478229) is 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine is Clc1ccc2c(NC3CCCCC3Nc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is LISWOCWHIAZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4/c25-15-5-7-17-19(9-11-27-23(17)13-15)29-21-3-1-2-4-22(21)30-20-10-12-28-24-14-16(26)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,27,29)(H,28,30).
What are the key properties of 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine?
1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 437.37 g/mol, XLogP of 6.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 10478229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).