[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine

C23H25ClN4O — CID 69150682

IUPAC[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine
SMILESCOc1ccc2nc(C=Cc3ccc(Cl)cc3)nc([C@H]3CCCC[C@H]3NN)c2c1
InChIInChI=1S/C23H25ClN4O/c1-29-17-11-12-20-19(14-17)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-8-15-6-9-16(24)10-7-15/h6-14,18,21,28H,2-5,25H2,1H3/t18-,21+/m0/s1
InChIKeyGWNRMVSBCOPRLG-GHTZIAJQSA-N
MW408.93 g/mol
LogP4.95
Rot. Bonds5

About [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine

[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine (PubChem CID 69150682) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine
PubChem CID69150682
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine
SMILESCOc1ccc2nc(C=Cc3ccc(Cl)cc3)nc([C@H]3CCCC[C@H]3NN)c2c1
InChIInChI=1S/C23H25ClN4O/c1-29-17-11-12-20-19(14-17)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-8-15-6-9-16(24)10-7-15/h6-14,18,21,28H,2-5,25H2,1H3/t18-,21+/m0/s1
InChIKeyGWNRMVSBCOPRLG-GHTZIAJQSA-N
XLogP4.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine
CID 69149009
[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-phenylmethoxyquinazolin-4-yl]cyclohexyl]hydrazine;dihydrochloride
CID 69150766
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-[(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]cyclopentyl]guanidine;dihydrochloride
CID 69022621
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-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-4-N-methylcyclohexane-1,4-diamine
CID 21100415
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]-4-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69150403

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine?
The IUPAC name of [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine (CID 69150682) is [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine.
What is the SMILES notation for [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine?
The canonical SMILES for [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine is COc1ccc2nc(C=Cc3ccc(Cl)cc3)nc([C@H]3CCCC[C@H]3NN)c2c1.
What is the InChIKey of [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine?
The InChIKey is GWNRMVSBCOPRLG-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-29-17-11-12-20-19(14-17)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-8-15-6-9-16(24)10-7-15/h6-14,18,21,28H,2-5,25H2,1H3/t18-,21+/m0/s1.
What are the key properties of [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine?
[(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine has a molecular weight of 408.93 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexyl]hydrazine is sourced from PubChem (CID 69150682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).