2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol

C20H22N4O2 — CID 1384428

IUPAC2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(N3CCN(C)CC3)c3ccccc3n2)c1O
InChIInChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)20-14-6-3-4-8-16(14)21-19(22-20)15-7-5-9-17(26-2)18(15)25/h3-9,25H,10-13H2,1-2H3
InChIKeyMTAUNVGSPWPEJS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.76
Rot. Bonds3

About 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol

2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol (PubChem CID 1384428) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
PubChem CID1384428
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(N3CCN(C)CC3)c3ccccc3n2)c1O
InChIInChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)20-14-6-3-4-8-16(14)21-19(22-20)15-7-5-9-17(26-2)18(15)25/h3-9,25H,10-13H2,1-2H3
InChIKeyMTAUNVGSPWPEJS-UHFFFAOYSA-N
XLogP2.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol 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-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
Cct-241533
CID 135564841
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
CID 616293
2-Cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
CID 53245590
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-methylphenol
CID 10425574
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
4-(Benzylamino)-7-methoxyquinazolin-6-ol
CID 5328037
N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino)propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine
CID 46174171
2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-4-ylamine
CID 9978046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol (CID 1384428) is 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol is COc1cccc(-c2nc(N3CCN(C)CC3)c3ccccc3n2)c1O.
What is the InChIKey of 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is MTAUNVGSPWPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)20-14-6-3-4-8-16(14)21-19(22-20)15-7-5-9-17(26-2)18(15)25/h3-9,25H,10-13H2,1-2H3.
What are the key properties of 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 350.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 1384428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).