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

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

Verubulin
CID 11414799
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
Evp4593
CID 509554
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
2,4-Quinazolinediamine, 5-methoxy-
CID 213752

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).