N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

C16H16N4O3 — CID 99949809

IUPACN-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN1C(=O)C[C@H](CNC(=O)c2c[nH]c(=O)cn2)c2ccccc21
InChIInChI=1S/C16H16N4O3/c1-20-13-5-3-2-4-11(13)10(6-15(20)22)7-19-16(23)12-8-18-14(21)9-17-12/h2-5,8-10H,6-7H2,1H3,(H,18,21)(H,19,23)/t10-/m1/s1
InChIKeyKPHXNDUGLQEAHI-SNVBAGLBSA-N
MW312.33 g/mol
LogP0.65
Rot. Bonds3

About N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 99949809) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID99949809
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN1C(=O)C[C@H](CNC(=O)c2c[nH]c(=O)cn2)c2ccccc21
InChIInChI=1S/C16H16N4O3/c1-20-13-5-3-2-4-11(13)10(6-15(20)22)7-19-16(23)12-8-18-14(21)9-17-12/h2-5,8-10H,6-7H2,1H3,(H,18,21)(H,19,23)/t10-/m1/s1
InChIKeyKPHXNDUGLQEAHI-SNVBAGLBSA-N
XLogP0.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 99949809) is N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is CN1C(=O)C[C@H](CNC(=O)c2c[nH]c(=O)cn2)c2ccccc21.
What is the InChIKey of N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is KPHXNDUGLQEAHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-20-13-5-3-2-4-11(13)10(6-15(20)22)7-19-16(23)12-8-18-14(21)9-17-12/h2-5,8-10H,6-7H2,1H3,(H,18,21)(H,19,23)/t10-/m1/s1.
What are the key properties of N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 99949809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).