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

C23H25ClN4O — CID 69238337

IUPAC4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C23H25ClN4O/c1-29-19-11-12-21-20(14-19)23(26-18-9-7-17(25)8-10-18)28-22(27-21)13-4-15-2-5-16(24)6-3-15/h2-6,11-14,17-18H,7-10,25H2,1H3,(H,26,27,28)
InChIKeyCVLCCOGZAXVFCZ-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.14
Rot. Bonds5

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

4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 69238337) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID69238337
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C23H25ClN4O/c1-29-19-11-12-21-20(14-19)23(26-18-9-7-17(25)8-10-18)28-22(27-21)13-4-15-2-5-16(24)6-3-15/h2-6,11-14,17-18H,7-10,25H2,1H3,(H,26,27,28)
InChIKeyCVLCCOGZAXVFCZ-UHFFFAOYSA-N
XLogP5.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
N-[(4-aminocyclohexyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69238315
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241897
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine
CID 21100415
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
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-[(Z)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69021637
2-[(1S,2R)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclopentyl]guanidine;dihydrochloride
CID 69022621
trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
CID 69240298

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine (CID 69238337) is 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine is COc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is CVLCCOGZAXVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-29-19-11-12-21-20(14-19)23(26-18-9-7-17(25)8-10-18)28-22(27-21)13-4-15-2-5-16(24)6-3-15/h2-6,11-14,17-18H,7-10,25H2,1H3,(H,26,27,28).
What are the key properties of 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine?
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 408.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69238337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).