3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol

C17H17N3O3 — CID 127034132

IUPAC3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
SMILESCOc1cc2ncnc(N(C)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-20(11-5-4-6-12(21)7-11)17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10,21H,1-3H3
InChIKeyQYNCZDLVMQIFGR-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.12
Rot. Bonds4

About 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol

3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol (PubChem CID 127034132) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
PubChem CID127034132
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
SMILESCOc1cc2ncnc(N(C)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-20(11-5-4-6-12(21)7-11)17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10,21H,1-3H3
InChIKeyQYNCZDLVMQIFGR-UHFFFAOYSA-N
XLogP3.12
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol
CID 142641273
N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 18770836
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
6,7-dimethoxy-4-methylquinazoline
CID 4319422
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol?
The IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol (CID 127034132) is 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol.
What is the SMILES notation for 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol?
The canonical SMILES for 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol is COc1cc2ncnc(N(C)c3cccc(O)c3)c2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol?
The InChIKey is QYNCZDLVMQIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(11-5-4-6-12(21)7-11)17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10,21H,1-3H3.
What are the key properties of 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol?
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol has a molecular weight of 311.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol is sourced from PubChem (CID 127034132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).