6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C20H18ClN3O2 — CID 78897900

IUPAC6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCNc3ccnc4cc(Cl)ccc34)ccc2N1
InChIInChI=1S/C20H18ClN3O2/c21-14-2-4-16-18(7-8-22-19(16)12-14)23-9-10-26-15-3-5-17-13(11-15)1-6-20(25)24-17/h2-5,7-8,11-12H,1,6,9-10H2,(H,22,23)(H,24,25)
InChIKeyQVLUGCVUIZQGED-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.26
Rot. Bonds5

About 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 78897900) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID78897900
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCNc3ccnc4cc(Cl)ccc34)ccc2N1
InChIInChI=1S/C20H18ClN3O2/c21-14-2-4-16-18(7-8-22-19(16)12-14)23-9-10-26-15-3-5-17-13(11-15)1-6-20(25)24-17/h2-5,7-8,11-12H,1,6,9-10H2,(H,22,23)(H,24,25)
InChIKeyQVLUGCVUIZQGED-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(E)-3-(2,5-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
CID 78891903
1-(4-chlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]cyclopentane-1-carboxamide
CID 78902248
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine
CID 133459173
N-butyl-7-chloroquinolin-4-amine
CID 10037042
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 78897900) is 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCNc3ccnc4cc(Cl)ccc34)ccc2N1.
What is the InChIKey of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QVLUGCVUIZQGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-2-4-16-18(7-8-22-19(16)12-14)23-9-10-26-15-3-5-17-13(11-15)1-6-20(25)24-17/h2-5,7-8,11-12H,1,6,9-10H2,(H,22,23)(H,24,25).
What are the key properties of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 367.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 78897900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).