(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C21H26FN3O — CID 171536881

IUPAC(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]c(F)c(c34)CC2(C)N(C)C1
InChIInChI=1S/C21H26FN3O/c1-5-12(2)23-20(26)13-9-16-14-7-6-8-17-18(14)15(19(22)24-17)10-21(16,3)25(4)11-13/h6-9,12-13,24H,5,10-11H2,1-4H3,(H,23,26)/t12?,13-,21?/m1/s1
InChIKeySALHDZQJZQOTMK-BXWNDJAQSA-N
MW355.46 g/mol
LogP3.48
Rot. Bonds3

About (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 171536881) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID171536881
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]c(F)c(c34)CC2(C)N(C)C1
InChIInChI=1S/C21H26FN3O/c1-5-12(2)23-20(26)13-9-16-14-7-6-8-17-18(14)15(19(22)24-17)10-21(16,3)25(4)11-13/h6-9,12-13,24H,5,10-11H2,1-4H3,(H,23,26)/t12?,13-,21?/m1/s1
InChIKeySALHDZQJZQOTMK-BXWNDJAQSA-N
XLogP3.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

CID 172577975
CID 172577975
(6aR,9R)-5-fluoro-7-methyl-N-pentan-3-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091912
(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
CID 129260616
1-chloroethyl (6aR,9R)-5-bromo-9-(diethylcarbamoyl)-6a,7-dimethyl-8,9-dihydro-6H-indolo[4,3-fg]quinoline-4-carboxylate
CID 169001380
(6aR,9R)-N-butan-2-yl-7-butyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091828
(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
(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
(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)-5-bromo-N-[(3S)-6-[hydroxy(diphenyl)silyl]-6-methylheptan-3-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 90251328
(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166038736
(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
(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

Frequently Asked Questions

What is the IUPAC name of (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 171536881) is (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is CCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]c(F)c(c34)CC2(C)N(C)C1.
What is the InChIKey of (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is SALHDZQJZQOTMK-BXWNDJAQSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-5-12(2)23-20(26)13-9-16-14-7-6-8-17-18(14)15(19(22)24-17)10-21(16,3)25(4)11-13/h6-9,12-13,24H,5,10-11H2,1-4H3,(H,23,26)/t12?,13-,21?/m1/s1.
What are the key properties of (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 171536881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).