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

C16H19ClN2O2 — CID 115430042

IUPAC2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C16H19ClN2O2/c1-3-16(4-2,15(20)21)10-19-13-7-8-18-14-9-11(17)5-6-12(13)14/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAFSVZBJOQPRONP-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.19
Rot. Bonds6

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

2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430042) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115430042
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C16H19ClN2O2/c1-3-16(4-2,15(20)21)10-19-13-7-8-18-14-9-11(17)5-6-12(13)14/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAFSVZBJOQPRONP-UHFFFAOYSA-N
XLogP4.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.19
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
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid (CID 115430042) is 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNc1ccnc2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is AFSVZBJOQPRONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-16(4-2,15(20)21)10-19-13-7-8-18-14-9-11(17)5-6-12(13)14/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid?
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 306.79 g/mol, XLogP of 4.19, 6 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]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).