2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline

C13H12ClN5O2 — CID 141020611

IUPAC2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline
SMILESCOc1cc2cnc(Cl)nc2cc1OCCn1ccnn1
InChIInChI=1S/C13H12ClN5O2/c1-20-11-6-9-8-15-13(14)17-10(9)7-12(11)21-5-4-19-3-2-16-18-19/h2-3,6-8H,4-5H2,1H3
InChIKeyUIEFBEGQJGQJTL-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline

2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline (PubChem CID 141020611) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline.

Molecular Properties

Compound Name2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline
PubChem CID141020611
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline
SMILESCOc1cc2cnc(Cl)nc2cc1OCCn1ccnn1
InChIInChI=1S/C13H12ClN5O2/c1-20-11-6-9-8-15-13(14)17-10(9)7-12(11)21-5-4-19-3-2-16-18-19/h2-3,6-8H,4-5H2,1H3
InChIKeyUIEFBEGQJGQJTL-UHFFFAOYSA-N
XLogP1.96
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-ethoxy-7-methoxyquinazoline
CID 141299474
6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline
CID 57239695
3-chloro-5-propan-2-yl-8-[2-(triazol-1-yl)ethoxy]isoquinoline
CID 166549898
2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one
CID 87614731
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
CID 86816529
4-(2,4-dichloro-5-methoxyanilino)-7-methoxy-8-[2-(triazol-1-yl)ethoxy]benzo[h]quinoline-3-carbonitrile
CID 69373305
2-chloro-6-methoxy-7-(2-methoxyethoxy)quinoxaline
CID 142746011
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
1-[2-chloro-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 22667231
2-chloro-7-methoxyquinazoline
CID 55251455
1-[2-(4-methoxyphenyl)sulfanylethyl]triazole
CID 154698631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The IUPAC name of 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline (CID 141020611) is 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline.
What is the SMILES notation for 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The canonical SMILES for 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline is COc1cc2cnc(Cl)nc2cc1OCCn1ccnn1.
What is the InChIKey of 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The InChIKey is UIEFBEGQJGQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-20-11-6-9-8-15-13(14)17-10(9)7-12(11)21-5-4-19-3-2-16-18-19/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline?
2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline has a molecular weight of 305.73 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline is sourced from PubChem (CID 141020611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).