(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C20H21N5O — CID 18605898

IUPAC(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccncn2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H21N5O/c1-25-10-13(20(26)24-18-5-6-21-11-23-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)25/h2-6,9,11,13,15,17,22H,7-8,10H2,1H3,(H,21,23,24,26)/t13-,15?,17-/m1/s1
InChIKeyPWVFOXNIAZZEIV-GWHNWCKOSA-N
MW347.42 g/mol
LogP2.56
Rot. Bonds2

About (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 18605898) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID18605898
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccncn2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H21N5O/c1-25-10-13(20(26)24-18-5-6-21-11-23-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)25/h2-6,9,11,13,15,17,22H,7-8,10H2,1H3,(H,21,23,24,26)/t13-,15?,17-/m1/s1
InChIKeyPWVFOXNIAZZEIV-GWHNWCKOSA-N
XLogP2.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 18605898) is (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1C[C@H](C(=O)Nc2ccncn2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is PWVFOXNIAZZEIV-GWHNWCKOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25-10-13(20(26)24-18-5-6-21-11-23-18)7-15-14-3-2-4-16-19(14)12(9-22-16)8-17(15)25/h2-6,9,11,13,15,17,22H,7-8,10H2,1H3,(H,21,23,24,26)/t13-,15?,17-/m1/s1.
What are the key properties of (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-methyl-N-pyrimidin-4-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 18605898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).