1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C20H28N6 — CID 130463674

IUPAC1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESC/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C20H28N6/c1-22-12-15(11-21)14-4-9-19-18(10-14)20(24-13-23-19)25-16-5-7-17(8-6-16)26(2)3/h4,9-13,16-17H,5-8,21H2,1-3H3,(H,23,24,25)/b15-11+,22-12+
InChIKeyLSNPWLLTBROPPV-RBHROCIKSA-N
MW352.49 g/mol
LogP2.91
Rot. Bonds5

About 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 130463674) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID130463674
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESC/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C20H28N6/c1-22-12-15(11-21)14-4-9-19-18(10-14)20(24-13-23-19)25-16-5-7-17(8-6-16)26(2)3/h4,9-13,16-17H,5-8,21H2,1-3H3,(H,23,24,25)/b15-11+,22-12+
InChIKeyLSNPWLLTBROPPV-RBHROCIKSA-N
XLogP2.91
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 130463674) is 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is C/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is LSNPWLLTBROPPV-RBHROCIKSA-N. The full InChI is InChI=1S/C20H28N6/c1-22-12-15(11-21)14-4-9-19-18(10-14)20(24-13-23-19)25-16-5-7-17(8-6-16)26(2)3/h4,9-13,16-17H,5-8,21H2,1-3H3,(H,23,24,25)/b15-11+,22-12+.
What are the key properties of 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 352.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 130463674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).