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

C20H19N5O4 — CID 86578521

IUPAC4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCOc1cc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-26-15-8-12(9-16(27-2)18(15)28-3)19-23-17(24-25-19)10-29-20-13-6-4-5-7-14(13)21-11-22-20/h4-9,11H,10H2,1-3H3,(H,23,24,25)
InChIKeyWDSAZPAXBCXWMI-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.02
Rot. Bonds7

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

4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (PubChem CID 86578521) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.

Molecular Properties

Compound Name4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
PubChem CID86578521
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCOc1cc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-26-15-8-12(9-16(27-2)18(15)28-3)19-23-17(24-25-19)10-29-20-13-6-4-5-7-14(13)21-11-22-20/h4-9,11H,10H2,1-3H3,(H,23,24,25)
InChIKeyWDSAZPAXBCXWMI-UHFFFAOYSA-N
XLogP3.02
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 5330463
N-(4-butoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 5330464
N-[3,5-dimethoxy-4-(propan-2-yloxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 5330465
4-[(3R)-3-(3-ethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102625
4-[(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102626
7,8-Dimethoxy-N-[(2s)-1-(3-Methyl-1h-Pyrazol-5-Yl)propan-2-Yl]quinazolin-4-Amine
CID 75815419
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(2-methoxyethoxy)quinazolin-4-amine
CID 127047354
(6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-[1,2,4]triazol-3-yl)-phenyl]-amine
CID 10215809
7,8-dimethoxy-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
CID 44180409
US9730937, Example 158
CID 56953629
1-(3-tert-butyl-1-isopropyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
CID 56954221
1-(3-tert-butyl-1-isobutyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
CID 56954222

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The IUPAC name of 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (CID 86578521) is 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.
What is the SMILES notation for 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The canonical SMILES for 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is COc1cc(-c2n[nH]c(COc3ncnc4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The InChIKey is WDSAZPAXBCXWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-26-15-8-12(9-16(27-2)18(15)28-3)19-23-17(24-25-19)10-29-20-13-6-4-5-7-14(13)21-11-22-20/h4-9,11H,10H2,1-3H3,(H,23,24,25).
What are the key properties of 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline has a molecular weight of 393.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is sourced from PubChem (CID 86578521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).