6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline

C14H13ClN4O3 — CID 173161815

IUPAC6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
SMILESCOc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCl
InChIInChI=1S/C14H13ClN4O3/c1-20-12-5-11-10(4-13(12)21-3-2-15)14(17-8-16-11)22-9-6-18-19-7-9/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyRBWSKQNSTZZUFN-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.77
Rot. Bonds6

About 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline

6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline (PubChem CID 173161815) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline.

Molecular Properties

Compound Name6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
PubChem CID173161815
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
SMILESCOc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCl
InChIInChI=1S/C14H13ClN4O3/c1-20-12-5-11-10(4-13(12)21-3-2-15)14(17-8-16-11)22-9-6-18-19-7-9/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyRBWSKQNSTZZUFN-UHFFFAOYSA-N
XLogP2.77
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
CID 59682910
7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
CID 11689807
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
CID 168943068

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline?
The IUPAC name of 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline (CID 173161815) is 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline.
What is the SMILES notation for 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline?
The canonical SMILES for 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline is COc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCl.
What is the InChIKey of 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline?
The InChIKey is RBWSKQNSTZZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-20-12-5-11-10(4-13(12)21-3-2-15)14(17-8-16-11)22-9-6-18-19-7-9/h4-8H,2-3H2,1H3,(H,18,19).
What are the key properties of 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline?
6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline has a molecular weight of 320.74 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline is sourced from PubChem (CID 173161815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).