4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine

C17H18N4O — CID 46883986

IUPAC4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-19-16-10-12(18)4-9-15(16)17(20-11)21(2)13-5-7-14(22-3)8-6-13/h4-10H,18H2,1-3H3
InChIKeyKFTPBLARGHWZTA-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.30
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine

4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine (PubChem CID 46883986) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
PubChem CID46883986
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-19-16-10-12(18)4-9-15(16)17(20-11)21(2)13-5-7-14(22-3)8-6-13/h4-10H,18H2,1-3H3
InChIKeyKFTPBLARGHWZTA-UHFFFAOYSA-N
XLogP3.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine (CID 46883986) is 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine is COc1ccc(N(C)c2nc(C)nc3cc(N)ccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine?
The InChIKey is KFTPBLARGHWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-19-16-10-12(18)4-9-15(16)17(20-11)21(2)13-5-7-14(22-3)8-6-13/h4-10H,18H2,1-3H3.
What are the key properties of 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine?
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine is sourced from PubChem (CID 46883986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).