N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C20H22N4O2 — CID 99929903

IUPACN-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2
InChIInChI=1S/C20H22N4O2/c1-24-12-15-5-3-2-4-13(15)8-16(24)10-22-20(26)14-6-7-17-18(9-14)23-19(25)11-21-17/h2-7,9,16,21H,8,10-12H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyFILDJCMUNDFHMD-INIZCTEOSA-N
MW350.42 g/mol
LogP1.84
Rot. Bonds3

About N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 99929903) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID99929903
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2
InChIInChI=1S/C20H22N4O2/c1-24-12-15-5-3-2-4-13(15)8-16(24)10-22-20(26)14-6-7-17-18(9-14)23-19(25)11-21-17/h2-7,9,16,21H,8,10-12H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyFILDJCMUNDFHMD-INIZCTEOSA-N
XLogP1.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 99929903) is N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is CN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2.
What is the InChIKey of N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is FILDJCMUNDFHMD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-12-15-5-3-2-4-13(15)8-16(24)10-22-20(26)14-6-7-17-18(9-14)23-19(25)11-21-17/h2-7,9,16,21H,8,10-12H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 99929903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).