N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C22H31N3O3 — CID 169048317

IUPACN,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1CC(C(=O)N(CC)CC)C=C2c3cccc4c3C(O)(CC21)C(O)N4
InChIInChI=1S/C22H31N3O3/c1-4-10-25-13-14(20(26)24(5-2)6-3)11-16-15-8-7-9-17-19(15)22(28,12-18(16)25)21(27)23-17/h7-9,11,14,18,21,23,27-28H,4-6,10,12-13H2,1-3H3
InChIKeyYAISBHSDQSGOBF-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.98
Rot. Bonds5

About N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 169048317) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID169048317
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1CC(C(=O)N(CC)CC)C=C2c3cccc4c3C(O)(CC21)C(O)N4
InChIInChI=1S/C22H31N3O3/c1-4-10-25-13-14(20(26)24(5-2)6-3)11-16-15-8-7-9-17-19(15)22(28,12-18(16)25)21(27)23-17/h7-9,11,14,18,21,23,27-28H,4-6,10,12-13H2,1-3H3
InChIKeyYAISBHSDQSGOBF-UHFFFAOYSA-N
XLogP1.98
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 95162787
(6aR,9R)-5a-hydroxy-7-methyl-5-oxo-N,N-bis(1,1,2,2,2-pentadeuterioethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 139024180
(4R)-N,N-diethyl-6,11-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977745
(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577939
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
CID 167513644
CID 167513644
N,N-diethyl-6-propan-2-yl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977623
(6aR,9R)-4-N,9-N,9-N-triethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide
CID 170763652
(6aR,9R)-4-acetyl-7-(cyclopropylmethyl)-N,N-diethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166091761
CID 168945046
CID 168945046
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
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 169048317) is N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CCCN1CC(C(=O)N(CC)CC)C=C2c3cccc4c3C(O)(CC21)C(O)N4.
What is the InChIKey of N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is YAISBHSDQSGOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-10-25-13-14(20(26)24(5-2)6-3)11-16-15-8-7-9-17-19(15)22(28,12-18(16)25)21(27)23-17/h7-9,11,14,18,21,23,27-28H,4-6,10,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 169048317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).