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

C17H18N4O — CID 11369887

IUPAC4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4O/c1-18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20)
InChIKeySDCOQCRGBSAZGF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.45
Rot. Bonds4

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

4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 11369887) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID11369887
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4O/c1-18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20)
InChIKeySDCOQCRGBSAZGF-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (CID 11369887) is 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is CNc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is SDCOQCRGBSAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-18-17-19-15-7-5-4-6-14(15)16(20-17)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 11369887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).