1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

C18H26N4 — CID 125479776

IUPAC1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCc1cc2ncnc(NC3CCC(N(C)C)CC3)c2cc1C
InChIInChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyJENSCYWJQSTTOZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.53
Rot. Bonds3

About 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 125479776) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID125479776
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCc1cc2ncnc(NC3CCC(N(C)C)CC3)c2cc1C
InChIInChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyJENSCYWJQSTTOZ-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 125479776) is 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is Cc1cc2ncnc(NC3CCC(N(C)C)CC3)c2cc1C.
What is the InChIKey of 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is JENSCYWJQSTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 125479776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).