2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid

C14H15ClN2O4 — CID 11833873

IUPAC2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid
SMILESCCOc1cc2nc(CC(=O)O)nc(Cl)c2cc1OCC
InChIInChI=1S/C14H15ClN2O4/c1-3-20-10-5-8-9(6-11(10)21-4-2)16-12(7-13(18)19)17-14(8)15/h5-6H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyVYOOOBIIBUYSSX-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid

2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid (PubChem CID 11833873) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid
PubChem CID11833873
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid
SMILESCCOc1cc2nc(CC(=O)O)nc(Cl)c2cc1OCC
InChIInChI=1S/C14H15ClN2O4/c1-3-20-10-5-8-9(6-11(10)21-4-2)16-12(7-13(18)19)17-14(8)15/h5-6H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyVYOOOBIIBUYSSX-UHFFFAOYSA-N
XLogP2.71
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
CID 10859828
2-benzyl-4-chloro-6,7-diethoxyquinazoline
CID 11057018
2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
CID 135443739
CID 90466535
CID 90466535
2-(6,7-diethoxyquinolin-4-yl)sulfanylacetic acid
CID 50877322
4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
CID 90236933
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
CID 90466530
CID 90466530
methyl 2-(4-chloroquinazolin-2-yl)acetate
CID 71748503
2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid
CID 5220208
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid?
The IUPAC name of 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid (CID 11833873) is 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid is CCOc1cc2nc(CC(=O)O)nc(Cl)c2cc1OCC.
What is the InChIKey of 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid?
The InChIKey is VYOOOBIIBUYSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-3-20-10-5-8-9(6-11(10)21-4-2)16-12(7-13(18)19)17-14(8)15/h5-6H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid?
2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid has a molecular weight of 310.74 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid is sourced from PubChem (CID 11833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).