6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one

C17H19ClN2O3 — CID 154780525

IUPAC6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
SMILESCCn1cc(C(=O)N2CCC(C)(O)C2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O3/c1-3-19-9-13(16(22)20-7-6-17(2,23)10-20)15(21)12-8-11(18)4-5-14(12)19/h4-5,8-9,23H,3,6-7,10H2,1-2H3
InChIKeyNEVAGSMNJMRKOS-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.27
Rot. Bonds2

About 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one

6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one (PubChem CID 154780525) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
PubChem CID154780525
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
SMILESCCn1cc(C(=O)N2CCC(C)(O)C2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O3/c1-3-19-9-13(16(22)20-7-6-17(2,23)10-20)15(21)12-8-11(18)4-5-14(12)19/h4-5,8-9,23H,3,6-7,10H2,1-2H3
InChIKeyNEVAGSMNJMRKOS-UHFFFAOYSA-N
XLogP2.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[1-(3-bromo-4-chlorophenyl)triazol-4-yl]-4-hydroxyazepane-1-carbonyl]-6-chloro-1-ethylquinolin-4-one
CID 167870341
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
CID 30132092
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
2-[4-(6-chloro-1-ethyl-4-oxoquinoline-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 146087872
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
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
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one?
The IUPAC name of 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one (CID 154780525) is 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one.
What is the SMILES notation for 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one?
The canonical SMILES for 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one is CCn1cc(C(=O)N2CCC(C)(O)C2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one?
The InChIKey is NEVAGSMNJMRKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-3-19-9-13(16(22)20-7-6-17(2,23)10-20)15(21)12-8-11(18)4-5-14(12)19/h4-5,8-9,23H,3,6-7,10H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one?
6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one has a molecular weight of 334.80 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one is sourced from PubChem (CID 154780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).