N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide

C18H23N5O2 — CID 97464045

About N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide

N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide (PubChem CID 97464045) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
• PubChem CID: 97464045
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.19
• IUPAC Name: N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
• SMILES: CN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cnccn1)CC2
• InChI: InChI=1S/C18H23N5O2/c1-22(2)9-10-23-16-5-4-14(11-13(16)3-6-17(23)24)21-18(25)15-12-19-7-8-20-15/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,21,25)/t14-/m0/s1
• InChIKey: PKUIWPSGTDLUOE-AWEZNQCLSA-N
• XLogP: 0.49
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide (CID 97464045) is N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide is CN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cnccn1)CC2.

What is the InChIKey of N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?

The InChIKey is PKUIWPSGTDLUOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)9-10-23-16-5-4-14(11-13(16)3-6-17(23)24)21-18(25)15-12-19-7-8-20-15/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,21,25)/t14-/m0/s1.

What are the key properties of N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?

N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 97464045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).