4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine

C18H24N4 — CID 121263781

IUPAC4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1
InChIInChI=1S/C18H24N4/c1-19-14-5-7-15(8-6-14)22-18-16-10-13(12-2-3-12)4-9-17(16)20-11-21-18/h4,9-12,14-15,19H,2-3,5-8H2,1H3,(H,20,21,22)
InChIKeyCZARGARFFIFZDO-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.45
Rot. Bonds4

About 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine

4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 121263781) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID121263781
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1
InChIInChI=1S/C18H24N4/c1-19-14-5-7-15(8-6-14)22-18-16-10-13(12-2-3-12)4-9-17(16)20-11-21-18/h4,9-12,14-15,19H,2-3,5-8H2,1H3,(H,20,21,22)
InChIKeyCZARGARFFIFZDO-UHFFFAOYSA-N
XLogP3.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine (CID 121263781) is 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ncnc3ccc(C4CC4)cc23)CC1.
What is the InChIKey of 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is CZARGARFFIFZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-19-14-5-7-15(8-6-14)22-18-16-10-13(12-2-3-12)4-9-17(16)20-11-21-18/h4,9-12,14-15,19H,2-3,5-8H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 121263781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).