4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine

C17H16N4O — CID 127255387

IUPAC4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
SMILESC=Cc1cccc(Nc2ncnc3cc(OC)c(N)cc23)c1
InChIInChI=1S/C17H16N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-10H,1,18H2,2H3,(H,19,20,21)
InChIKeyGURREYXHCKESSZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.61
Rot. Bonds4

About 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine

4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine (PubChem CID 127255387) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
PubChem CID127255387
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
SMILESC=Cc1cccc(Nc2ncnc3cc(OC)c(N)cc23)c1
InChIInChI=1S/C17H16N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-10H,1,18H2,2H3,(H,19,20,21)
InChIKeyGURREYXHCKESSZ-UHFFFAOYSA-N
XLogP3.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine 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

N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
4-N-[4-fluoro-3-(iodomethyl)phenyl]-7-methoxyquinazoline-4,6-diamine
CID 129137091
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
CID 142974670
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
(E)-3-(3,4-dimethoxyphenyl)-1-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
CID 127045057
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine (CID 127255387) is 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine is C=Cc1cccc(Nc2ncnc3cc(OC)c(N)cc23)c1.
What is the InChIKey of 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine?
The InChIKey is GURREYXHCKESSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-10H,1,18H2,2H3,(H,19,20,21).
What are the key properties of 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine?
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine has a molecular weight of 292.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine is sourced from PubChem (CID 127255387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).