trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine

C23H25ClN4 — CID 69240298

IUPACtrans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
SMILESCc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@@H]3CCC[C@@H](N)C3)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-5-11-21-20(13-15)23(26-19-4-2-3-18(25)14-19)28-22(27-21)12-8-16-6-9-17(24)10-7-16/h5-13,18-19H,2-4,14,25H2,1H3,(H,26,27,28)/t18-,19-/m1/s1
InChIKeyLSNPAUZDIOUGFG-RTBURBONSA-N
MW392.93 g/mol
LogP5.44
Rot. Bonds4

About trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine

trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine (PubChem CID 69240298) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
PubChem CID69240298
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Nametrans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
SMILESCc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@@H]3CCC[C@@H](N)C3)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-5-11-21-20(13-15)23(26-19-4-2-3-18(25)14-19)28-22(27-21)12-8-16-6-9-17(24)10-7-16/h5-13,18-19H,2-4,14,25H2,1H3,(H,26,27,28)/t18-,19-/m1/s1
InChIKeyLSNPAUZDIOUGFG-RTBURBONSA-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 trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine with MolForge

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Related Compounds

2-[(1R,3R)-3-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69024255
cis-(1R,2S)-2-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,2-diamine
CID 69240715
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
CID 69238337
4-N-[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-propan-2-yloxyquinazolin-4-yl]cyclohexane-1,4-diamine;dihydrochloride
CID 69240579
4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69239806
4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69240334
[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine
CID 69149009
trans-(1S,3S)-1-N-(6-chloro-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 69439548
N-[4-(aminomethyl)cyclohexyl]-2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69149852
(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241485
2-[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]butyl]guanidine
CID 69022104
2-[(1R,2S)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]amino]cyclopentyl]guanidine
CID 69021916

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine (CID 69240298) is trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine is Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@@H]3CCC[C@@H](N)C3)c2c1.
What is the InChIKey of trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine?
The InChIKey is LSNPAUZDIOUGFG-RTBURBONSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-15-5-11-21-20(13-15)23(26-19-4-2-3-18(25)14-19)28-22(27-21)12-8-16-6-9-17(24)10-7-16/h5-13,18-19H,2-4,14,25H2,1H3,(H,26,27,28)/t18-,19-/m1/s1.
What are the key properties of trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine?
trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-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 trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine is sourced from PubChem (CID 69240298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).