2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid

C14H13ClN2O2 — CID 55108001

IUPAC2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H13ClN2O2/c15-9-3-4-10-11(5-6-16-12(10)7-9)17-13(14(18)19)8-1-2-8/h3-8,13H,1-2H2,(H,16,17)(H,18,19)
InChIKeyVCZDJSFBIOEALX-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.16
Rot. Bonds4

About 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid

2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid (PubChem CID 55108001) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
PubChem CID55108001
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H13ClN2O2/c15-9-3-4-10-11(5-6-16-12(10)7-9)17-13(14(18)19)8-1-2-8/h3-8,13H,1-2H2,(H,16,17)(H,18,19)
InChIKeyVCZDJSFBIOEALX-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid
CID 82666232
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid (CID 55108001) is 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid is O=C(O)C(Nc1ccnc2cc(Cl)ccc12)C1CC1.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid?
The InChIKey is VCZDJSFBIOEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-9-3-4-10-11(5-6-16-12(10)7-9)17-13(14(18)19)8-1-2-8/h3-8,13H,1-2H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid?
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 55108001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).