1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

C17H24N4O — CID 121255052

IUPAC1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C17H24N4O/c1-21(2)13-6-4-12(5-7-13)20-17-15-10-14(22-3)8-9-16(15)18-11-19-17/h8-13H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMZRXMXNHTZLJKF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.92
Rot. Bonds4

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

1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 121255052) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID121255052
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C17H24N4O/c1-21(2)13-6-4-12(5-7-13)20-17-15-10-14(22-3)8-9-16(15)18-11-19-17/h8-13H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMZRXMXNHTZLJKF-UHFFFAOYSA-N
XLogP2.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 121255052) is 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is COc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is MZRXMXNHTZLJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-21(2)13-6-4-12(5-7-13)20-17-15-10-14(22-3)8-9-16(15)18-11-19-17/h8-13H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxyquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 121255052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).