2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline

C21H17N3O2 — CID 67688331

IUPAC2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C21H17N3O2/c1-25-19-11-10-14(12-20(19)26-2)16-8-5-9-18(23-16)21-22-13-15-6-3-4-7-17(15)24-21/h3-13H,1-2H3
InChIKeyGBGJCVDSRKRTAV-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.38
Rot. Bonds4

About 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline

2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688331) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688331
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C21H17N3O2/c1-25-19-11-10-14(12-20(19)26-2)16-8-5-9-18(23-16)21-22-13-15-6-3-4-7-17(15)24-21/h3-13H,1-2H3
InChIKeyGBGJCVDSRKRTAV-UHFFFAOYSA-N
XLogP4.38
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline 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

2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
2-[6-(2-methoxyphenoxy)-5-methyl-2-pyridinyl]quinazoline
CID 67688966
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
CID 171732276
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
CID 68916896
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688587
2-[6-[3-[2-methoxy-4-(trifluoromethyl)phenoxy]prop-1-ynyl]-5-methyl-2-pyridinyl]quinazoline
CID 67689143
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline (CID 67688331) is 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline is COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is GBGJCVDSRKRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-19-11-10-14(12-20(19)26-2)16-8-5-9-18(23-16)21-22-13-15-6-3-4-7-17(15)24-21/h3-13H,1-2H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 343.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).