6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C19H21N3O3 — CID 86794079

IUPAC6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cccc1C1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21N3O3/c1-21-8-2-3-16(21)17-12-25-10-9-22(17)19(24)14-4-6-15-13(11-14)5-7-18(23)20-15/h2-4,6,8,11,17H,5,7,9-10,12H2,1H3,(H,20,23)
InChIKeyVPOIKORRRVHQOC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.12
Rot. Bonds2

About 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one

6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86794079) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID86794079
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cccc1C1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21N3O3/c1-21-8-2-3-16(21)17-12-25-10-9-22(17)19(24)14-4-6-15-13(11-14)5-7-18(23)20-15/h2-4,6,8,11,17H,5,7,9-10,12H2,1H3,(H,20,23)
InChIKeyVPOIKORRRVHQOC-UHFFFAOYSA-N
XLogP2.12
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 102712814
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154762702
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 139004982
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 86794079) is 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cn1cccc1C1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VPOIKORRRVHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-8-2-3-16(21)17-12-25-10-9-22(17)19(24)14-4-6-15-13(11-14)5-7-18(23)20-15/h2-4,6,8,11,17H,5,7,9-10,12H2,1H3,(H,20,23).
What are the key properties of 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86794079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).