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

C15H15ClN2O2 — CID 64667465

IUPAC2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1ccnc2cc(Cl)ccc12)(C(=O)O)C1CC1
InChIInChI=1S/C15H15ClN2O2/c1-15(14(19)20,9-2-3-9)18-12-6-7-17-13-8-10(16)4-5-11(12)13/h4-9H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyXBXBJAAFAWHVKM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.55
Rot. Bonds4

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

2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid (PubChem CID 64667465) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
PubChem CID64667465
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1ccnc2cc(Cl)ccc12)(C(=O)O)C1CC1
InChIInChI=1S/C15H15ClN2O2/c1-15(14(19)20,9-2-3-9)18-12-6-7-17-13-8-10(16)4-5-11(12)13/h4-9H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyXBXBJAAFAWHVKM-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 61290273
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid (CID 64667465) is 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid is CC(Nc1ccnc2cc(Cl)ccc12)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is XBXBJAAFAWHVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(14(19)20,9-2-3-9)18-12-6-7-17-13-8-10(16)4-5-11(12)13/h4-9H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid?
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.55, 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-cyclopropylpropanoic acid is sourced from PubChem (CID 64667465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).