6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid

C15H15ClN2O3 — CID 60941268

IUPAC6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H15ClN2O3/c16-11-7-8-12(10-4-3-9-17-15(10)11)18-13(19)5-1-2-6-14(20)21/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,20,21)
InChIKeyLEUATEQNLCVNSQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.47
Rot. Bonds6

About 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid

6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid (PubChem CID 60941268) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
PubChem CID60941268
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H15ClN2O3/c16-11-7-8-12(10-4-3-9-17-15(10)11)18-13(19)5-1-2-6-14(20)21/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,20,21)
InChIKeyLEUATEQNLCVNSQ-UHFFFAOYSA-N
XLogP3.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834

Frequently Asked Questions

What is the IUPAC name of 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid (CID 60941268) is 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid?
The InChIKey is LEUATEQNLCVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-7-8-12(10-4-3-9-17-15(10)11)18-13(19)5-1-2-6-14(20)21/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid?
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 60941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).