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

C21H27N3O — CID 10427207

IUPAC(6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C21H27N3O/c1-4-6-13(2)23-21(25)15-9-17-16-7-5-8-18-20(16)14(11-22-18)10-19(17)24(3)12-15/h5,7-9,11,13,15,19,22H,4,6,10,12H2,1-3H3,(H,23,25)/t13-,15-,19-/m1/s1
InChIKeyJGLCNUHMSLNTLJ-ZXYWRSMDSA-N
MW337.47 g/mol
LogP3.34
Rot. Bonds4

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

(6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 10427207) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID10427207
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C21H27N3O/c1-4-6-13(2)23-21(25)15-9-17-16-7-5-8-18-20(16)14(11-22-18)10-19(17)24(3)12-15/h5,7-9,11,13,15,19,22H,4,6,10,12H2,1-3H3,(H,23,25)/t13-,15-,19-/m1/s1
InChIKeyJGLCNUHMSLNTLJ-ZXYWRSMDSA-N
XLogP3.34
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 10427207) is (6aR,9R)-7-methyl-N-[(2R)-pentan-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-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.
What is the InChIKey of (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is JGLCNUHMSLNTLJ-ZXYWRSMDSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-6-13(2)23-21(25)15-9-17-16-7-5-8-18-20(16)14(11-22-18)10-19(17)24(3)12-15/h5,7-9,11,13,15,19,22H,4,6,10,12H2,1-3H3,(H,23,25)/t13-,15-,19-/m1/s1.
What are the key properties of (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-methyl-N-[(2R)-pentan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 10427207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).