(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C23H31N3O — CID 166091828

IUPAC(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCN1C[C@H](C(=O)NC(C)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C23H31N3O/c1-4-6-10-26-14-17(23(27)25-15(3)5-2)11-19-18-8-7-9-20-22(18)16(13-24-20)12-21(19)26/h7-9,11,13,15,17,21,24H,4-6,10,12,14H2,1-3H3,(H,25,27)/t15?,17-,21-/m1/s1
InChIKeyLKBBUAYNRZZZOD-NZAAYYPMSA-N
MW365.52 g/mol
LogP4.12
Rot. Bonds6

About (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 166091828) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID166091828
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCN1C[C@H](C(=O)NC(C)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C23H31N3O/c1-4-6-10-26-14-17(23(27)25-15(3)5-2)11-19-18-8-7-9-20-22(18)16(13-24-20)12-21(19)26/h7-9,11,13,15,17,21,24H,4-6,10,12,14H2,1-3H3,(H,25,27)/t15?,17-,21-/m1/s1
InChIKeyLKBBUAYNRZZZOD-NZAAYYPMSA-N
XLogP4.12
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,9R)-N-[(2R)-butan-2-yl]-7-[2-(2-methoxyphenyl)ethyl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091819
(6aR,9R)-N-[(2R)-butan-2-yl]-7-[(2-methoxyphenyl)methyl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091745
(6aR,9R)-N-pentan-3-yl-7-(3,3,3-trifluoropropyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091996
(6aS,9R)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 1268326
N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091847
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
(6aS,9S)-N-[(2R)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 933785
(6aR,9R)-N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
CID 140541907
bis((6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);(2R,3R)-2,3-dihydroxybutanedioic acid
CID 76957949
N-butoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723225
(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577939
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 166091828) is (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCCN1C[C@H](C(=O)NC(C)CC)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is LKBBUAYNRZZZOD-NZAAYYPMSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-6-10-26-14-17(23(27)25-15(3)5-2)11-19-18-8-7-9-20-22(18)16(13-24-20)12-21(19)26/h7-9,11,13,15,17,21,24H,4-6,10,12,14H2,1-3H3,(H,25,27)/t15?,17-,21-/m1/s1.
What are the key properties of (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 166091828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).