(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C22H27F2N3O — CID 172577939

IUPAC(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1C[C@H](C(=O)N(CCF)CCF)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C22H27F2N3O/c1-2-8-27-14-16(22(28)26(9-6-23)10-7-24)11-18-17-4-3-5-19-21(17)15(13-25-19)12-20(18)27/h3-5,11,13,16,20,25H,2,6-10,12,14H2,1H3/t16-,20?/m1/s1
InChIKeyOZCATVLHGDOGNH-QRIPLOBPSA-N
MW387.47 g/mol
LogP3.59
Rot. Bonds7

About (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 172577939) has the molecular formula C22H27F2N3O and a molecular weight of 387.47 g/mol. Its IUPAC name is (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID172577939
Molecular FormulaC22H27F2N3O
Molecular Weight387.47 g/mol
Exact Mass387.21
IUPAC Name(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1C[C@H](C(=O)N(CCF)CCF)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C22H27F2N3O/c1-2-8-27-14-16(22(28)26(9-6-23)10-7-24)11-18-17-4-3-5-19-21(17)15(13-25-19)12-20(18)27/h3-5,11,13,16,20,25H,2,6-10,12,14H2,1H3/t16-,20?/m1/s1
InChIKeyOZCATVLHGDOGNH-QRIPLOBPSA-N
XLogP3.59
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,9R)-7-[5-[[(6aR,9R)-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-ethylamino]pentyl]-N-ethyl-N-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577839
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091847
(6aS,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166138526
potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
CID 174919313
(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 174159021
bis((6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);2,3-dihydroxybutanedioic acid
CID 154730847
(6aR,9R)-N-ethyl-7-methyl-N-(2,2,2-trifluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 163187757
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;N,N-dimethylhexadecan-1-amine
CID 174946917
(6aR,9R)-N,N-diethyl-7-(pyridazin-4-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577965
(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577893

Frequently Asked Questions

What is the IUPAC name of (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 172577939) is (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCN1C[C@H](C(=O)N(CCF)CCF)C=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is OZCATVLHGDOGNH-QRIPLOBPSA-N. The full InChI is InChI=1S/C22H27F2N3O/c1-2-8-27-14-16(22(28)26(9-6-23)10-7-24)11-18-17-4-3-5-19-21(17)15(13-25-19)12-20(18)27/h3-5,11,13,16,20,25H,2,6-10,12,14H2,1H3/t16-,20?/m1/s1.
What are the key properties of (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 172577939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).