4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline

C19H17N5O3 — CID 86578519

IUPAC4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCOc1ccc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-25-15-8-7-12(9-16(15)26-2)18-22-17(23-24-18)10-27-19-13-5-3-4-6-14(13)20-11-21-19/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyHNAJUFMYDAGDKG-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.01
Rot. Bonds6

About 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline

4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (PubChem CID 86578519) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.

Molecular Properties

Compound Name4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
PubChem CID86578519
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCOc1ccc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-25-15-8-7-12(9-16(15)26-2)18-22-17(23-24-18)10-27-19-13-5-3-4-6-14(13)20-11-21-19/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyHNAJUFMYDAGDKG-UHFFFAOYSA-N
XLogP3.01
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline with MolForge

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Related Compounds

Anilinoquinazoline deriv. 29
CID 5329027
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazolin-4-amine
CID 24949544
7-[5-(3,4-Dimethoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135489150
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
6,7-dimethoxy-4-[(3R)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]quinazoline
CID 16102594
6,7-dimethoxy-4-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]quinazoline
CID 16102595
2-{[(3R)-1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]oxy}benzonitrile
CID 16102596
4-[(3R)-3-(4-ethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102598
6,7-dimethoxy-4-[(3R)-3-(3-phenylphenoxy)pyrrolidin-1-yl]quinazoline
CID 16102599
6,7-dimethoxy-4-[(3R)-3-(pyridin-2-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102602

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (CID 86578519) is 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.
What is the SMILES notation for 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The canonical SMILES for 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is COc1ccc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc1OC.
What is the InChIKey of 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The InChIKey is HNAJUFMYDAGDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-25-15-8-7-12(9-16(15)26-2)18-22-17(23-24-18)10-27-19-13-5-3-4-6-14(13)20-11-21-19/h3-9,11H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline has a molecular weight of 363.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is sourced from PubChem (CID 86578519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).