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

C20H24N4O2 — CID 174173488

IUPAC(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@H](C(=O)NC2CNCCO2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H24N4O2/c1-24-11-13(20(25)23-18-10-21-5-6-26-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)24/h2-4,7,9,13,17-18,21-22H,5-6,8,10-11H2,1H3,(H,23,25)/t13-,17-,18?/m1/s1
InChIKeyNWCLCNFTQBWCDS-WROHLXEZSA-N
MW352.44 g/mol
LogP1.10
Rot. Bonds2

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

(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 174173488) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID174173488
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@H](C(=O)NC2CNCCO2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H24N4O2/c1-24-11-13(20(25)23-18-10-21-5-6-26-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)24/h2-4,7,9,13,17-18,21-22H,5-6,8,10-11H2,1H3,(H,23,25)/t13-,17-,18?/m1/s1
InChIKeyNWCLCNFTQBWCDS-WROHLXEZSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 174173488) is (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1C[C@H](C(=O)NC2CNCCO2)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is NWCLCNFTQBWCDS-WROHLXEZSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24-11-13(20(25)23-18-10-21-5-6-26-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)24/h2-4,7,9,13,17-18,21-22H,5-6,8,10-11H2,1H3,(H,23,25)/t13-,17-,18?/m1/s1.
What are the key properties of (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-methyl-N-morpholin-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 174173488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).