1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine

C13H11ClN6 — CID 168631298

IUPAC1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc3ncnc(Cl)c3c2)c(N)n1
InChIInChI=1S/C13H11ClN6/c1-8-6-20(13(15)19-8)18-5-9-2-3-11-10(4-9)12(14)17-7-16-11/h2-7H,1H3,(H2,15,19)
InChIKeyZKLBSLIUJFQUJK-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.25
Rot. Bonds2

About 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine

1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168631298) has the molecular formula C13H11ClN6 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168631298
Molecular FormulaC13H11ClN6
Molecular Weight286.73 g/mol
Exact Mass286.07
IUPAC Name1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc3ncnc(Cl)c3c2)c(N)n1
InChIInChI=1S/C13H11ClN6/c1-8-6-20(13(15)19-8)18-5-9-2-3-11-10(4-9)12(14)17-7-16-11/h2-7H,1H3,(H2,15,19)
InChIKeyZKLBSLIUJFQUJK-UHFFFAOYSA-N
XLogP2.25
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629654
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
CID 168628769
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine (CID 168631298) is 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc3ncnc(Cl)c3c2)c(N)n1.
What is the InChIKey of 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is ZKLBSLIUJFQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6/c1-8-6-20(13(15)19-8)18-5-9-2-3-11-10(4-9)12(14)17-7-16-11/h2-7H,1H3,(H2,15,19).
What are the key properties of 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine?
1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 286.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168631298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).