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

C15H17ClN2O2 — CID 60840202

IUPAC2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-3-10(2)18(9-15(19)20)14-6-7-17-13-8-11(16)4-5-12(13)14/h4-8,10H,3,9H2,1-2H3,(H,19,20)
InChIKeyOQCBNWPTFRGEFM-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.58
Rot. Bonds5

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

2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid (PubChem CID 60840202) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
PubChem CID60840202
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-3-10(2)18(9-15(19)20)14-6-7-17-13-8-11(16)4-5-12(13)14/h4-8,10H,3,9H2,1-2H3,(H,19,20)
InChIKeyOQCBNWPTFRGEFM-UHFFFAOYSA-N
XLogP3.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
2-(N-butan-2-yl-4-chloro-2-cyanoanilino)acetic acid
CID 62493291
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911583
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid (CID 60840202) is 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid?
The InChIKey is OQCBNWPTFRGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-10(2)18(9-15(19)20)14-6-7-17-13-8-11(16)4-5-12(13)14/h4-8,10H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid?
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid has a molecular weight of 292.77 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 60840202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).