2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid

C14H12ClNO2 — CID 82666232

IUPAC2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H12ClNO2/c15-9-3-4-10-11(5-6-16-12(10)7-9)13(14(17)18)8-1-2-8/h3-8,13H,1-2H2,(H,17,18)
InChIKeyFPVMAELTTSHXDV-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.47
Rot. Bonds3

About 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid

2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid (PubChem CID 82666232) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid
PubChem CID82666232
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H12ClNO2/c15-9-3-4-10-11(5-6-16-12(10)7-9)13(14(17)18)8-1-2-8/h3-8,13H,1-2H2,(H,17,18)
InChIKeyFPVMAELTTSHXDV-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
4,7-dichloroquinoline
CID 6866
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
CID 106987726
3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
CID 24705650
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
CID 175668562
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid (CID 82666232) is 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid is O=C(O)C(c1ccnc2cc(Cl)ccc12)C1CC1.
What is the InChIKey of 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid?
The InChIKey is FPVMAELTTSHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-9-3-4-10-11(5-6-16-12(10)7-9)13(14(17)18)8-1-2-8/h3-8,13H,1-2H2,(H,17,18).
What are the key properties of 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid?
2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid has a molecular weight of 261.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid is sourced from PubChem (CID 82666232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).