4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one

C17H18N2O — CID 117030198

IUPAC4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCc3cc4ccccc4nc32)CC1
InChIInChI=1S/C17H18N2O/c20-15-7-5-14(6-8-15)19-10-9-13-11-12-3-1-2-4-16(12)18-17(13)19/h1-4,11,14H,5-10H2
InChIKeyUOAJFYPZYHCUMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds1

About 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one

4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one (PubChem CID 117030198) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
PubChem CID117030198
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCc3cc4ccccc4nc32)CC1
InChIInChI=1S/C17H18N2O/c20-15-7-5-14(6-8-15)19-10-9-13-11-12-3-1-2-4-16(12)18-17(13)19/h1-4,11,14H,5-10H2
InChIKeyUOAJFYPZYHCUMM-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
CID 117030169
2,3,4,4a,5,6-hexahydro-1H-quinolino[3,2-c]quinolizine-5-carboxylic acid
CID 4798816
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996187
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-amine
CID 117030151
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
CID 117030156
2,3-dihydro-1H-cyclopenta[b]quinolin-3-ol
CID 121010982
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
CID 117030152
(7'S)-spiro[1,3-diazinane-5,8'-5-oxa-2,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),10,12,14,16-pentaene]-2,4,6-trione
CID 27532137
(3S)-12,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),4,6,8,14,16,18,20-octaene
CID 164671810

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one (CID 117030198) is 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one is O=C1CCC(N2CCc3cc4ccccc4nc32)CC1.
What is the InChIKey of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one?
The InChIKey is UOAJFYPZYHCUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-15-7-5-14(6-8-15)19-10-9-13-11-12-3-1-2-4-16(12)18-17(13)19/h1-4,11,14H,5-10H2.
What are the key properties of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one?
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 117030198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).