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

C21H23N3O2 — CID 661819

IUPAC2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(N3CCCCC3C)c3ccccc3n2)c1O
InChIInChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3
InChIKeyWNPXRNJEBMRJGV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.39
Rot. Bonds3

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

2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol (PubChem CID 661819) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol
PubChem CID661819
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(N3CCCCC3C)c3ccccc3n2)c1O
InChIInChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3
InChIKeyWNPXRNJEBMRJGV-UHFFFAOYSA-N
XLogP4.39
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
Whi-p131
CID 3794
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-methylphenol
CID 10425574
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
2-Chloro-6,7-dimethoxy-4-(piperidin-1-yl)quinazoline
CID 1713515
4-(Benzylamino)-7-methoxyquinazolin-6-ol
CID 5328037
6,7-Dimethoxy-N-methyl-N-phenylquinazolin-4-amine
CID 9882621
N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino)propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine
CID 46174171
6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 142432918
2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-4-ylamine
CID 9978046
2-[1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol
CID 14022381

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol (CID 661819) is 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol is COc1cccc(-c2nc(N3CCCCC3C)c3ccccc3n2)c1O.
What is the InChIKey of 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is WNPXRNJEBMRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3.
What are the key properties of 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 349.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 661819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).