6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C23H32N6O — CID 130463688

IUPAC6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESC/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1C
InChIInChI=1S/C23H32N6O/c1-16-20(17(13-24)14-25-2)7-8-21-22(16)23(27-15-26-21)28-18-3-5-19(6-4-18)29-9-11-30-12-10-29/h7-8,13-15,18-19H,3-6,9-12,24H2,1-2H3,(H,26,27,28)/b17-13+,25-14+
InChIKeyGAUKPDYBCLPIKZ-DONFXTHASA-N
MW408.55 g/mol
LogP2.99
Rot. Bonds5

About 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130463688) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130463688
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESC/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1C
InChIInChI=1S/C23H32N6O/c1-16-20(17(13-24)14-25-2)7-8-21-22(16)23(27-15-26-21)28-18-3-5-19(6-4-18)29-9-11-30-12-10-29/h7-8,13-15,18-19H,3-6,9-12,24H2,1-2H3,(H,26,27,28)/b17-13+,25-14+
InChIKeyGAUKPDYBCLPIKZ-DONFXTHASA-N
XLogP2.99
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800580
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
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
N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-5-[1-(oxan-4-yl)piperidin-4-yl]oxyquinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171089015
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
2-amino-4-methylimino-3-[4-[(4-morpholin-4-ylcyclohexyl)methylamino]quinazolin-6-yl]but-2-en-1-ol
CID 146739493

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130463688) is 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is C/N=C/C(=C\N)c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1C.
What is the InChIKey of 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is GAUKPDYBCLPIKZ-DONFXTHASA-N. The full InChI is InChI=1S/C23H32N6O/c1-16-20(17(13-24)14-25-2)7-8-21-22(16)23(27-15-26-21)28-18-3-5-19(6-4-18)29-9-11-30-12-10-29/h7-8,13-15,18-19H,3-6,9-12,24H2,1-2H3,(H,26,27,28)/b17-13+,25-14+.
What are the key properties of 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 408.55 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130463688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).