N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

C19H23N3O5 — CID 90647703

IUPACN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H23N3O5/c1-22(2)18(24)11-27-16-7-8-26-10-15(16)21-19(25)13-9-17(23)20-14-6-4-3-5-12(13)14/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,25)/t15-,16+/m1/s1
InChIKeyIWZCHFPJRXBADH-CVEARBPZSA-N
MW373.41 g/mol
LogP0.52
Rot. Bonds5

About N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 90647703) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID90647703
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H23N3O5/c1-22(2)18(24)11-27-16-7-8-26-10-15(16)21-19(25)13-9-17(23)20-14-6-4-3-5-12(13)14/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,25)/t15-,16+/m1/s1
InChIKeyIWZCHFPJRXBADH-CVEARBPZSA-N
XLogP0.52
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 90647703) is N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is IWZCHFPJRXBADH-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-22(2)18(24)11-27-16-7-8-26-10-15(16)21-19(25)13-9-17(23)20-14-6-4-3-5-12(13)14/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,25)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 90647703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).