6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline

C22H19N3O2 — CID 176664908

IUPAC6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
SMILESCOc1cc2ncnc(Cc3cccc(-c4ccncc4)c3)c2cc1OC
InChIInChI=1S/C22H19N3O2/c1-26-21-12-18-19(24-14-25-20(18)13-22(21)27-2)11-15-4-3-5-17(10-15)16-6-8-23-9-7-16/h3-10,12-14H,11H2,1-2H3
InChIKeyOAQLHLLNGHVEQH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.30
Rot. Bonds5

About 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline

6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline (PubChem CID 176664908) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
PubChem CID176664908
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
SMILESCOc1cc2ncnc(Cc3cccc(-c4ccncc4)c3)c2cc1OC
InChIInChI=1S/C22H19N3O2/c1-26-21-12-18-19(24-14-25-20(18)13-22(21)27-2)11-15-4-3-5-17(10-15)16-6-8-23-9-7-16/h3-10,12-14H,11H2,1-2H3
InChIKeyOAQLHLLNGHVEQH-UHFFFAOYSA-N
XLogP4.30
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline
CID 176664892
4-[3-[(7-methoxy-6-methylquinazolin-4-yl)methyl]phenyl]butanal
CID 134299436
4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline
CID 176664922
6,7-dimethoxy-4-propylquinazoline
CID 4077807
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol
CID 151966668
6,7-dimethoxy-4-methylquinazoline
CID 4319422
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinoline
CID 150556575
N-benzyl-N-[(Z)-2-(6,7-dimethoxyquinazolin-4-yl)ethylideneamino]ethanamine;ethane;formic acid
CID 143413827

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline (CID 176664908) is 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline is COc1cc2ncnc(Cc3cccc(-c4ccncc4)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline?
The InChIKey is OAQLHLLNGHVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-21-12-18-19(24-14-25-20(18)13-22(21)27-2)11-15-4-3-5-17(10-15)16-6-8-23-9-7-16/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline?
6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline has a molecular weight of 357.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline is sourced from PubChem (CID 176664908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).