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

C18H18N2O4 — CID 99959426

IUPAC6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C18H18N2O4/c1-11-7-13(21)9-16(24-11)18(23)19-10-12-8-17(22)20(2)15-6-4-3-5-14(12)15/h3-7,9,12H,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyYATBXNCZBBGSOP-GFCCVEGCSA-N
MW326.35 g/mol
LogP1.83
Rot. Bonds3

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

6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 99959426) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID99959426
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C18H18N2O4/c1-11-7-13(21)9-16(24-11)18(23)19-10-12-8-17(22)20(2)15-6-4-3-5-14(12)15/h3-7,9,12H,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyYATBXNCZBBGSOP-GFCCVEGCSA-N
XLogP1.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide (CID 99959426) is 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)o1.
What is the InChIKey of 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is YATBXNCZBBGSOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-7-13(21)9-16(24-11)18(23)19-10-12-8-17(22)20(2)15-6-4-3-5-14(12)15/h3-7,9,12H,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 99959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).