2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid

C10H7ClN2O4 — CID 117264841

IUPAC2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
SMILESCOc1cccc2c(=O)n(C(=O)O)c(Cl)nc12
InChIInChI=1S/C10H7ClN2O4/c1-17-6-4-2-3-5-7(6)12-9(11)13(8(5)14)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyKXELSBCMERGJEQ-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.58
Rot. Bonds1

About 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid

2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid (PubChem CID 117264841) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
PubChem CID117264841
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Name2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
SMILESCOc1cccc2c(=O)n(C(=O)O)c(Cl)nc12
InChIInChI=1S/C10H7ClN2O4/c1-17-6-4-2-3-5-7(6)12-9(11)13(8(5)14)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyKXELSBCMERGJEQ-UHFFFAOYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
CID 117264534
3-benzyl-8-methoxy-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 86050242
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
2,4-dichloro-8-methoxy-3-phenylquinoline
CID 2780585
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
CID 105469677
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid?
The IUPAC name of 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid (CID 117264841) is 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid is COc1cccc2c(=O)n(C(=O)O)c(Cl)nc12.
What is the InChIKey of 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid?
The InChIKey is KXELSBCMERGJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c1-17-6-4-2-3-5-7(6)12-9(11)13(8(5)14)10(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid?
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid has a molecular weight of 254.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid is sourced from PubChem (CID 117264841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).