2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride

C18H15ClN2O4 — CID 86238128

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Cl)cc3)c2cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-15-8-13-14(9-16(15)24-2)20-10-21-18(13)25-12-5-3-11(4-6-12)7-17(19)22/h3-6,8-10H,7H2,1-2H3
InChIKeyLUIYDQKATIXBFV-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride (PubChem CID 86238128) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
PubChem CID86238128
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Cl)cc3)c2cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-15-8-13-14(9-16(15)24-2)20-10-21-18(13)25-12-5-3-11(4-6-12)7-17(19)22/h3-6,8-10H,7H2,1-2H3
InChIKeyLUIYDQKATIXBFV-UHFFFAOYSA-N
XLogP3.75
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66906894
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
N-[3-[(cyclopropylamino)methyl]-5-methoxyphenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 66907457
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
CID 66907423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride (CID 86238128) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride is COc1cc2ncnc(Oc3ccc(CC(=O)Cl)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride?
The InChIKey is LUIYDQKATIXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-15-8-13-14(9-16(15)24-2)20-10-21-18(13)25-12-5-3-11(4-6-12)7-17(19)22/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride has a molecular weight of 358.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride is sourced from PubChem (CID 86238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).