(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C22H19N5O2 — CID 15604768

IUPAC(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cnc5ccccc5c4)cc32)C(=O)N1
InChIInChI=1S/C22H19N5O2/c23-10-17-12-27-19-9-15(6-5-14(19)8-20(27)22(29)26-17)21(28)25-16-7-13-3-1-2-4-18(13)24-11-16/h1-9,11,17H,10,12,23H2,(H,25,28)(H,26,29)/t17-/m1/s1
InChIKeyOVXGPHRSPLOGPB-QGZVFWFLSA-N
MW385.43 g/mol
LogP2.51
Rot. Bonds3

About (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604768) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604768
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cnc5ccccc5c4)cc32)C(=O)N1
InChIInChI=1S/C22H19N5O2/c23-10-17-12-27-19-9-15(6-5-14(19)8-20(27)22(29)26-17)21(28)25-16-7-13-3-1-2-4-18(13)24-11-16/h1-9,11,17H,10,12,23H2,(H,25,28)(H,26,29)/t17-/m1/s1
InChIKeyOVXGPHRSPLOGPB-QGZVFWFLSA-N
XLogP2.51
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide with MolForge

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Related Compounds

(3S)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15604764
1-oxo-N-quinolin-3-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57397732
1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-quinolin-3-ylbenzamide
CID 29331146
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide
CID 66827351
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604768) is (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cnc5ccccc5c4)cc32)C(=O)N1.
What is the InChIKey of (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is OVXGPHRSPLOGPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-10-17-12-27-19-9-15(6-5-14(19)8-20(27)22(29)26-17)21(28)25-16-7-13-3-1-2-4-18(13)24-11-16/h1-9,11,17H,10,12,23H2,(H,25,28)(H,26,29)/t17-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-1-oxo-N-quinolin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).