3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid

C14H15ClN2O5 — CID 163197326

IUPAC3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
SMILESCOCCOc1cc2c(Cl)ncnc2cc1OCCC(=O)O
InChIInChI=1S/C14H15ClN2O5/c1-20-4-5-22-11-6-9-10(16-8-17-14(9)15)7-12(11)21-3-2-13(18)19/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyHPUDWZGCXQFQMH-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.16
Rot. Bonds8

About 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid

3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid (PubChem CID 163197326) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
PubChem CID163197326
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
SMILESCOCCOc1cc2c(Cl)ncnc2cc1OCCC(=O)O
InChIInChI=1S/C14H15ClN2O5/c1-20-4-5-22-11-6-9-10(16-8-17-14(9)15)7-12(11)21-3-2-13(18)19/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyHPUDWZGCXQFQMH-UHFFFAOYSA-N
XLogP2.16
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
CID 25258085
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 122446171
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid?
The IUPAC name of 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid (CID 163197326) is 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid.
What is the SMILES notation for 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid?
The canonical SMILES for 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid is COCCOc1cc2c(Cl)ncnc2cc1OCCC(=O)O.
What is the InChIKey of 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid?
The InChIKey is HPUDWZGCXQFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c1-20-4-5-22-11-6-9-10(16-8-17-14(9)15)7-12(11)21-3-2-13(18)19/h6-8H,2-5H2,1H3,(H,18,19).
What are the key properties of 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid?
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid has a molecular weight of 326.74 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid is sourced from PubChem (CID 163197326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).