2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid

C13H9ClN2O3 — CID 123486275

IUPAC2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1cc(Cl)c2ncncc2c1
InChIInChI=1S/C13H9ClN2O3/c14-10-2-6(1-7-4-15-5-16-11(7)10)12(17)8-3-9(8)13(18)19/h1-2,4-5,8-9H,3H2,(H,18,19)
InChIKeyKAXQMJDNPGQLLB-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.19
Rot. Bonds3

About 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid

2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 123486275) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID123486275
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1cc(Cl)c2ncncc2c1
InChIInChI=1S/C13H9ClN2O3/c14-10-2-6(1-7-4-15-5-16-11(7)10)12(17)8-3-9(8)13(18)19/h1-2,4-5,8-9H,3H2,(H,18,19)
InChIKeyKAXQMJDNPGQLLB-UHFFFAOYSA-N
XLogP2.19
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[3-chloro-4-(cyclopropanecarbonyl)benzoyl]cyclopropane-1-carboxylic acid
CID 126593177
2-(7-chloro-2-oxo-3H-1,3-benzoxazole-5-carbonyl)cyclopropane-1-carboxylic acid
CID 123942872
trans-(1S,2S)-2-(7-chloro-1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)cyclopropane-1-carboxylic acid
CID 71766495
2-(5-chlorothiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 10059758
trans-(1S,2S)-2-(3-chloro-4-cyclopropylsulfanylbenzoyl)cyclopropane-1-carboxylic acid
CID 71767948
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
2-[3-chloro-4-(trifluoromethoxy)benzoyl]cyclopropane-1-carboxylic acid
CID 123398420
2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 66918073
2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116918530
1-[(1S,2S)-2-(7-chloro-1-benzofuran-5-carbonyl)cyclopropyl]-2-hydroxyethanone
CID 161260631
6-hydroxyquinazoline-8-carboxylic acid
CID 140638657
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid (CID 123486275) is 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1cc(Cl)c2ncncc2c1.
What is the InChIKey of 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is KAXQMJDNPGQLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-10-2-6(1-7-4-15-5-16-11(7)10)12(17)8-3-9(8)13(18)19/h1-2,4-5,8-9H,3H2,(H,18,19).
What are the key properties of 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid?
2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinazoline-6-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123486275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).