1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one

C19H23N3O5S — CID 20859121

IUPAC1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H23N3O5S/c1-20-13-16(19(24)21-6-2-3-7-21)18(23)15-12-14(4-5-17(15)20)28(25,26)22-8-10-27-11-9-22/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyUSZHSYSZEVEFLV-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.80
Rot. Bonds3

About 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one

1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one (PubChem CID 20859121) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
PubChem CID20859121
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H23N3O5S/c1-20-13-16(19(24)21-6-2-3-7-21)18(23)15-12-14(4-5-17(15)20)28(25,26)22-8-10-27-11-9-22/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyUSZHSYSZEVEFLV-UHFFFAOYSA-N
XLogP0.80
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
CID 20968769
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 15996290
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
ethyl 4-(1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 3238877
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 20859389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one?
The IUPAC name of 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one (CID 20859121) is 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one?
The canonical SMILES for 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one is Cn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one?
The InChIKey is USZHSYSZEVEFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-20-13-16(19(24)21-6-2-3-7-21)18(23)15-12-14(4-5-17(15)20)28(25,26)22-8-10-27-11-9-22/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one?
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one has a molecular weight of 405.48 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one is sourced from PubChem (CID 20859121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).