N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H21N3O4 — CID 12971637

IUPACN-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CC[C@@H](C)N3C=O)C(=O)O1
InChIInChI=1S/C17H21N3O4/c1-11-3-4-13-7-14(5-6-16(13)20(11)10-21)19-9-15(24-17(19)23)8-18-12(2)22/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22)/t11-,15+/m1/s1
InChIKeyZZNBAXUSGXUZTC-ABAIWWIYSA-N
MW331.37 g/mol
LogP1.45
Rot. Bonds4

About N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 12971637) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID12971637
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CC[C@@H](C)N3C=O)C(=O)O1
InChIInChI=1S/C17H21N3O4/c1-11-3-4-13-7-14(5-6-16(13)20(11)10-21)19-9-15(24-17(19)23)8-18-12(2)22/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22)/t11-,15+/m1/s1
InChIKeyZZNBAXUSGXUZTC-ABAIWWIYSA-N
XLogP1.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 12971637) is N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CC[C@@H](C)N3C=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZZNBAXUSGXUZTC-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-3-4-13-7-14(5-6-16(13)20(11)10-21)19-9-15(24-17(19)23)8-18-12(2)22/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22)/t11-,15+/m1/s1.
What are the key properties of N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 12971637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).