N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide

C23H29N5O — CID 23511

IUPACN-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCCn1cc2c3c(cccc31)C1CC(NC(=O)n3nc(C)cc3C)CN(C)C1C2
InChIInChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29)
InChIKeyZSJNNQSQILSGMP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.44
Rot. Bonds2

About N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide

N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide (PubChem CID 23511) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide
PubChem CID23511
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCCn1cc2c3c(cccc31)C1CC(NC(=O)n3nc(C)cc3C)CN(C)C1C2
InChIInChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29)
InChIKeyZSJNNQSQILSGMP-UHFFFAOYSA-N
XLogP3.44
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-[(6aR,9S)-7-methyl-4-prop-2-ynyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 42630643
4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 12818190
(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
CID 54418825
N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide
CID 156599345
3-[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylthiourea
CID 88663835
3-[(6aR)-4-[3-[(6aR)-9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-2-[1-[(6aR)-9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]ethyl]-2-(bromomethyl)butyl]-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 91610664
(6aR,9R,10aS)-4-ethyl-N-(4-methoxycyclohexyl)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
CID 67875571
(6aR,9R)-4-butyl-N-cycloheptyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 54019048
(6aR,9R)-4-butyl-N-(4-hydroxycyclohexyl)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 70362746
3-[(6aR,9S,10aR)-5-ethyl-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 139640545
N-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 57023142
3-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 57130390

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide (CID 23511) is N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide is CCn1cc2c3c(cccc31)C1CC(NC(=O)n3nc(C)cc3C)CN(C)C1C2.
What is the InChIKey of N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide?
The InChIKey is ZSJNNQSQILSGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29).
What are the key properties of N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide?
N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 23511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).