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

C15H17ClN2O2 — CID 65224478

IUPAC2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-2-3-10(15(19)20)9-18-13-6-7-17-14-8-11(16)4-5-12(13)14/h4-8,10H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyCELHSAJBZYXSKE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.80
Rot. Bonds6

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

2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid (PubChem CID 65224478) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
PubChem CID65224478
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-2-3-10(15(19)20)9-18-13-6-7-17-14-8-11(16)4-5-12(13)14/h4-8,10H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyCELHSAJBZYXSKE-UHFFFAOYSA-N
XLogP3.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
CID 103705122
2-(2-carboxypentylamino)-4-chlorobenzoic acid
CID 21251990
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol;phosphoric acid
CID 54599799
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid (CID 65224478) is 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid is CCCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid?
The InChIKey is CELHSAJBZYXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-3-10(15(19)20)9-18-13-6-7-17-14-8-11(16)4-5-12(13)14/h4-8,10H,2-3,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid?
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.80, 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]pentanoic acid is sourced from PubChem (CID 65224478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).