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

C23H25ClN4 — CID 10115841

IUPAC4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+
InChIKeyLOMPNXDREJPCDV-WLRTZDKTSA-N
MW392.93 g/mol
LogP5.44
Rot. Bonds4

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

4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 10115841) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID10115841
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+
InChIKeyLOMPNXDREJPCDV-WLRTZDKTSA-N
XLogP5.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Importazole
CID 2949965
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-(3-Chloroanilino)quinazoline
CID 128872
Quinazoline, 2,4-dianilino-
CID 213847
1,4-Pentanediamine, N(sup 4)-(2-(2-(4-bromophenyl)ethenyl)-7-chloro-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 5285750
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Ezurpimtrostat
CID 121305180
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
5-{4-[(4-Chlorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
CID 11221946

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine (CID 10115841) is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine is Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is LOMPNXDREJPCDV-WLRTZDKTSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+.
What are the key properties of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine?
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 392.93 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 10115841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).