(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

C20H22N4O2 — CID 70917636

IUPAC(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESNC(=O)N1CC(C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H22N4O2/c21-20(26)24-11-13(19(25)23-6-1-2-7-23)8-15-14-4-3-5-16-18(14)12(10-22-16)9-17(15)24/h3-5,8,10,13,17,22H,1-2,6-7,9,11H2,(H2,21,26)/t13?,17-/m1/s1
InChIKeyDGMPSQBTSNJDNN-LRHAYUFXSA-N
MW350.42 g/mol
LogP2.11
Rot. Bonds1

About (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (PubChem CID 70917636) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.

Molecular Properties

Compound Name(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
PubChem CID70917636
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESNC(=O)N1CC(C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H22N4O2/c21-20(26)24-11-13(19(25)23-6-1-2-7-23)8-15-14-4-3-5-16-18(14)12(10-22-16)9-17(15)24/h3-5,8,10,13,17,22H,1-2,6-7,9,11H2,(H2,21,26)/t13?,17-/m1/s1
InChIKeyDGMPSQBTSNJDNN-LRHAYUFXSA-N
XLogP2.11
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The IUPAC name of (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (CID 70917636) is (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.
What is the SMILES notation for (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The canonical SMILES for (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is NC(=O)N1CC(C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The InChIKey is DGMPSQBTSNJDNN-LRHAYUFXSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-20(26)24-11-13(19(25)23-6-1-2-7-23)8-15-14-4-3-5-16-18(14)12(10-22-16)9-17(15)24/h3-5,8,10,13,17,22H,1-2,6-7,9,11H2,(H2,21,26)/t13?,17-/m1/s1.
What are the key properties of (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is sourced from PubChem (CID 70917636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).