8-chloroquinazoline-4-carboxylic acid

C9H5ClN2O2 — CID 105462454

IUPAC8-chloroquinazoline-4-carboxylic acid
SMILESO=C(O)c1ncnc2c(Cl)cccc12
InChIInChI=1S/C9H5ClN2O2/c10-6-3-1-2-5-7(6)11-4-12-8(5)9(13)14/h1-4H,(H,13,14)
InChIKeyZHASFMCDQBRRTQ-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.98
Rot. Bonds1

About 8-chloroquinazoline-4-carboxylic acid

8-chloroquinazoline-4-carboxylic acid (PubChem CID 105462454) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 8-chloroquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloroquinazoline-4-carboxylic acid
PubChem CID105462454
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name8-chloroquinazoline-4-carboxylic acid
SMILESO=C(O)c1ncnc2c(Cl)cccc12
InChIInChI=1S/C9H5ClN2O2/c10-6-3-1-2-5-7(6)11-4-12-8(5)9(13)14/h1-4H,(H,13,14)
InChIKeyZHASFMCDQBRRTQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methylquinazoline-4-carboxylic acid
CID 124706584
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
8-chloroquinazoline-4-carbonitrile
CID 119083825
8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117264856
(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate
CID 21473944
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
2-(7-chloro-2H-indazol-3-yl)propanoic acid
CID 83911078
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinazoline-4-carboxylic acid?
The IUPAC name of 8-chloroquinazoline-4-carboxylic acid (CID 105462454) is 8-chloroquinazoline-4-carboxylic acid.
What is the SMILES notation for 8-chloroquinazoline-4-carboxylic acid?
The canonical SMILES for 8-chloroquinazoline-4-carboxylic acid is O=C(O)c1ncnc2c(Cl)cccc12.
What is the InChIKey of 8-chloroquinazoline-4-carboxylic acid?
The InChIKey is ZHASFMCDQBRRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-6-3-1-2-5-7(6)11-4-12-8(5)9(13)14/h1-4H,(H,13,14).
What are the key properties of 8-chloroquinazoline-4-carboxylic acid?
8-chloroquinazoline-4-carboxylic acid has a molecular weight of 208.60 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinazoline-4-carboxylic acid is sourced from PubChem (CID 105462454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).