N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C22H23N3O4 — CID 7244312

IUPACN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4/c26-21-12-16(14-25(21)17-7-8-19-20(13-17)29-11-10-28-19)23-22(27)24-9-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-8,13,16H,3,5,9-12,14H2,(H,23,27)/t16-/m1/s1
InChIKeyKXGIBKCZLHYIBZ-MRXNPFEDSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds2

About N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 7244312) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID7244312
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4/c26-21-12-16(14-25(21)17-7-8-19-20(13-17)29-11-10-28-19)23-22(27)24-9-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-8,13,16H,3,5,9-12,14H2,(H,23,27)/t16-/m1/s1
InChIKeyKXGIBKCZLHYIBZ-MRXNPFEDSA-N
XLogP2.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215552
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7543396
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 16819946
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 16812475
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 16810037
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564030
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41129285
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7215206
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 18564547
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 43971265
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazine-1-carboxamide
CID 7215985

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 7244312) is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is KXGIBKCZLHYIBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21-12-16(14-25(21)17-7-8-19-20(13-17)29-11-10-28-19)23-22(27)24-9-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-8,13,16H,3,5,9-12,14H2,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 7244312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).