(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C29H31N7O2 — CID 142648523

About (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 142648523) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 142648523
• Molecular Formula: C29H31N7O2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.25
• IUPAC Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCN3CC=CC4=C3Cc3ccccc3C4)c(=O)n21
• InChI: InChI=1S/C29H31N7O2/c1-18-22(8-11-26(30)34-18)15-32-28(37)24-10-9-23-16-31-27(29(38)36(23)24)33-17-35-12-4-7-21-13-19-5-2-3-6-20(19)14-25(21)35/h2-8,11,16,24H,9-10,12-15,17H2,1H3,(H2,30,34)(H,31,33)(H,32,37)/t24-/m0/s1
• InChIKey: NXZRERHZSWJXND-DEOSSOPVSA-N
• XLogP: 2.63
• TPSA: 118.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 142648523) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCN3CC=CC4=C3Cc3ccccc3C4)c(=O)n21.

What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is NXZRERHZSWJXND-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-18-22(8-11-26(30)34-18)15-32-28(37)24-10-9-23-16-31-27(29(38)36(23)24)33-17-35-12-4-7-21-13-19-5-2-3-6-20(19)14-25(21)35/h2-8,11,16,24H,9-10,12-15,17H2,1H3,(H2,30,34)(H,31,33)(H,32,37)/t24-/m0/s1.

What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(5,10-dihydro-2H-benzo[g]quinolin-1-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 142648523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).