3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid

C14H15ClN2O2 — CID 113307879

IUPAC3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-14(2,13(18)19)8-17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJZQOTPGZHZKBEY-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.41
Rot. Bonds4

About 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid

3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 113307879) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID113307879
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-14(2,13(18)19)8-17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJZQOTPGZHZKBEY-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353147
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid (CID 113307879) is 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNc1ccnc2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is JZQOTPGZHZKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-14(2,13(18)19)8-17-11-5-6-16-12-7-9(15)3-4-10(11)12/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid?
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 278.74 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).