2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine

C23H25ClN6O — CID 69026220

IUPAC2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine
SMILESNC(N)=NC1CCCCC1Nc1nc(/C=C\c2ccc(Cl)cc2)nc2ccc(O)cc12
InChIInChI=1S/C23H25ClN6O/c24-15-8-5-14(6-9-15)7-12-21-27-18-11-10-16(31)13-17(18)22(30-21)28-19-3-1-2-4-20(19)29-23(25)26/h5-13,19-20,31H,1-4H2,(H4,25,26,29)(H,27,28,30)/b12-7-
InChIKeySMUNAGMKBIHAML-GHXNOFRVSA-N
MW436.95 g/mol
LogP4.16
Rot. Bonds5

About 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine

2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine (PubChem CID 69026220) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine.

Molecular Properties

Compound Name2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine
PubChem CID69026220
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine
SMILESNC(N)=NC1CCCCC1Nc1nc(/C=C\c2ccc(Cl)cc2)nc2ccc(O)cc12
InChIInChI=1S/C23H25ClN6O/c24-15-8-5-14(6-9-15)7-12-21-27-18-11-10-16(31)13-17(18)22(30-21)28-19-3-1-2-4-20(19)29-23(25)26/h5-13,19-20,31H,1-4H2,(H4,25,26,29)(H,27,28,30)/b12-7-
InChIKeySMUNAGMKBIHAML-GHXNOFRVSA-N
XLogP4.16
TPSA122.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 22668004
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-[2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-ethoxyquinazolin-4-yl]amino]cyclohexyl]guanidine
CID 22667926
2-[(1S,2R)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclopentyl]guanidine;dihydrochloride
CID 69022621
2-[(1R,2S)-2-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinolin-4-yl]amino]cyclohexyl]guanidine
CID 69023779
cis-(1R,2S)-2-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,2-diamine
CID 69240715
2-[2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinolin-4-yl]amino]cyclohexyl]guanidine
CID 22667940
2-[2-[[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
CID 22667936
2-[(1S,2R)-2-[[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
CID 69022726
2-[(1R,3R)-3-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69024255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine?
The IUPAC name of 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine (CID 69026220) is 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine.
What is the SMILES notation for 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine?
The canonical SMILES for 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine is NC(N)=NC1CCCCC1Nc1nc(/C=C\c2ccc(Cl)cc2)nc2ccc(O)cc12.
What is the InChIKey of 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine?
The InChIKey is SMUNAGMKBIHAML-GHXNOFRVSA-N. The full InChI is InChI=1S/C23H25ClN6O/c24-15-8-5-14(6-9-15)7-12-21-27-18-11-10-16(31)13-17(18)22(30-21)28-19-3-1-2-4-20(19)29-23(25)26/h5-13,19-20,31H,1-4H2,(H4,25,26,29)(H,27,28,30)/b12-7-.
What are the key properties of 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine?
2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine has a molecular weight of 436.95 g/mol, XLogP of 4.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine is sourced from PubChem (CID 69026220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).