4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine

C24H27ClN4O — CID 21100415

IUPAC4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N(C)C3CCC(N)CC3)c2c1
InChIInChI=1S/C24H27ClN4O/c1-29(19-10-8-18(26)9-11-19)24-21-15-20(30-2)12-13-22(21)27-23(28-24)14-5-16-3-6-17(25)7-4-16/h3-7,12-15,18-19H,8-11,26H2,1-2H3/b14-5+
InChIKeyQBZKZZHMLOMZRD-LHHJGKSTSA-N
MW422.96 g/mol
LogP5.17
Rot. Bonds5

About 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine

4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 21100415) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID21100415
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N(C)C3CCC(N)CC3)c2c1
InChIInChI=1S/C24H27ClN4O/c1-29(19-10-8-18(26)9-11-19)24-21-15-20(30-2)12-13-22(21)27-23(28-24)14-5-16-3-6-17(25)7-4-16/h3-7,12-15,18-19H,8-11,26H2,1-2H3/b14-5+
InChIKeyQBZKZZHMLOMZRD-LHHJGKSTSA-N
XLogP5.17
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69150403
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 21100414
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
CID 69238337
N-[(4-aminocyclohexyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69238315
N-[4-(aminomethyl)cyclohexyl]-2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69149852
4-N-[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-propan-2-yloxyquinazolin-4-yl]cyclohexane-1,4-diamine;dihydrochloride
CID 69240579
[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine
CID 69150682
2-[(1R,2S)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclopentyl]guanidine
CID 69021916
2-[(1S,2R)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclohexyl]guanidine
CID 69022097
2-[(1S,2R)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclopentyl]guanidine;dihydrochloride
CID 69022621
2-[(1S,2R)-2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69021637
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine (CID 21100415) is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine is COc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N(C)C3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is QBZKZZHMLOMZRD-LHHJGKSTSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-29(19-10-8-18(26)9-11-19)24-21-15-20(30-2)12-13-22(21)27-23(28-24)14-5-16-3-6-17(25)7-4-16/h3-7,12-15,18-19H,8-11,26H2,1-2H3/b14-5+.
What are the key properties of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 422.96 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 21100415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).