(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone

C17H19N3O — CID 66208799

IUPAC(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O/c1-11-15-9-18-8-14(15)10-20(11)17(21)13-4-5-16-12(7-13)3-2-6-19-16/h2-7,11,14-15,18H,8-10H2,1H3
InChIKeyNNRRWXLENNMPMM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.91
Rot. Bonds1

About (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone (PubChem CID 66208799) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
PubChem CID66208799
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O/c1-11-15-9-18-8-14(15)10-20(11)17(21)13-4-5-16-12(7-13)3-2-6-19-16/h2-7,11,14-15,18H,8-10H2,1H3
InChIKeyNNRRWXLENNMPMM-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
CID 66213045
1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207439
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
(3-methoxy-4-methylphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213040
(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 81284204
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207445
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
(2,6-dichlorophenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213440
1H-indol-7-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207438
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 66209764

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone?
The IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone (CID 66208799) is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone is CC1C2CNCC2CN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone?
The InChIKey is NNRRWXLENNMPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-15-9-18-8-14(15)10-20(11)17(21)13-4-5-16-12(7-13)3-2-6-19-16/h2-7,11,14-15,18H,8-10H2,1H3.
What are the key properties of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone?
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 66208799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).