N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C22H25N3O — CID 170723042

IUPACN-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)NC2CC2C2CC2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C22H25N3O/c1-25-11-14(22(26)24-19-9-16(19)12-5-6-12)7-17-15-3-2-4-18-21(15)13(10-23-18)8-20(17)25/h2-4,7,10,12,14,16,19-20,23H,5-6,8-9,11H2,1H3,(H,24,26)
InChIKeyISSMKFKEJZSTMB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.95
Rot. Bonds3

About N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 170723042) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID170723042
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)NC2CC2C2CC2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C22H25N3O/c1-25-11-14(22(26)24-19-9-16(19)12-5-6-12)7-17-15-3-2-4-18-21(15)13(10-23-18)8-20(17)25/h2-4,7,10,12,14,16,19-20,23H,5-6,8-9,11H2,1H3,(H,24,26)
InChIKeyISSMKFKEJZSTMB-UHFFFAOYSA-N
XLogP2.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 78302734
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
(6aR,9R)-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
CID 6450625
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
(6aR,9R)-N-cycloheptyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
CID 154723899
N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 174173488
N-(2-bicyclo[1.1.1]pentanyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723236
(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)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 170723042) is N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1CC(C(=O)NC2CC2C2CC2)C=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is ISSMKFKEJZSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25-11-14(22(26)24-19-9-16(19)12-5-6-12)7-17-15-3-2-4-18-21(15)13(10-23-18)8-20(17)25/h2-4,7,10,12,14,16,19-20,23H,5-6,8-9,11H2,1H3,(H,24,26).
What are the key properties of N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylcyclopropyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 170723042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).