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

C17H18N4O — CID 127043185

IUPAC2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-18-16-14-6-4-5-7-15(14)19-17(20-16)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20)
InChIKeyRANDQPGUBTWPSC-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.45
Rot. Bonds4

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

2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 127043185) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID127043185
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-18-16-14-6-4-5-7-15(14)19-17(20-16)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20)
InChIKeyRANDQPGUBTWPSC-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 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (CID 127043185) is 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is CNc1nc(N(C)c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is RANDQPGUBTWPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-18-16-14-6-4-5-7-15(14)19-17(20-16)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 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
2-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 2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 127043185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).