2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline

C14H18N2 — CID 123299289

IUPAC2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline
SMILESC1=C2c3c(c[nH]c3CC1)CC1NCCCC21
InChIInChI=1S/C14H18N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h3,8,10,13,15-16H,1-2,4-7H2
InChIKeyQSCSIBGIVUEZHY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.27
Rot. Bonds

About 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline

2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline (PubChem CID 123299289) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline
PubChem CID123299289
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline
SMILESC1=C2c3c(c[nH]c3CC1)CC1NCCCC21
InChIInChI=1S/C14H18N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h3,8,10,13,15-16H,1-2,4-7H2
InChIKeyQSCSIBGIVUEZHY-UHFFFAOYSA-N
XLogP2.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 67851799
CID 67851799
6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67224046
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine
CID 123242636
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline?
The IUPAC name of 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline (CID 123299289) is 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline?
The canonical SMILES for 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline is C1=C2c3c(c[nH]c3CC1)CC1NCCCC21.
What is the InChIKey of 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline?
The InChIKey is QSCSIBGIVUEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h3,8,10,13,15-16H,1-2,4-7H2.
What are the key properties of 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline?
2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline has a molecular weight of 214.31 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 123299289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).