6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one

C21H19ClN2O2 — CID 39851482

IUPAC6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
SMILESCCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyCMCQIVBOFQQWST-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one

6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one (PubChem CID 39851482) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
PubChem CID39851482
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
SMILESCCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H19ClN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyCMCQIVBOFQQWST-UHFFFAOYSA-N
XLogP4.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
2-[4-(6-chloro-1-ethyl-4-oxoquinoline-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 146087872
8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
CID 43831927
6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
CID 154780525
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 75517462
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62490914
7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 43860284
1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
CID 141078293

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one?
The IUPAC name of 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one (CID 39851482) is 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one.
What is the SMILES notation for 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one?
The canonical SMILES for 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one is CCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one?
The InChIKey is CMCQIVBOFQQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3.
What are the key properties of 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one?
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one has a molecular weight of 366.85 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one is sourced from PubChem (CID 39851482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).