N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide

C23H25N3O5S — CID 70342401

IUPACN-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H25N3O5S/c1-2-31-21-6-4-3-5-16(21)15-24-23(28)19-14-22(27)25-20-8-7-17(13-18(19)20)32(29)26-9-11-30-12-10-26/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyGKFUYXCORKHKJX-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.21
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 70342401) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID70342401
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H25N3O5S/c1-2-31-21-6-4-3-5-16(21)15-24-23(28)19-14-22(27)25-20-8-7-17(13-18(19)20)32(29)26-9-11-30-12-10-26/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyGKFUYXCORKHKJX-UHFFFAOYSA-N
XLogP2.21
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
6-(azepan-1-ylsulfinyl)-N-[3-(N-butylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70341994
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43908455
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 2450820
N-[(2-methoxyphenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 92695948
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982
8-chloro-N-[(2-ethoxyphenyl)methyl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 20907419

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide (CID 70342401) is N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide is CCOc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)N3CCOCC3)cc12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GKFUYXCORKHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-2-31-21-6-4-3-5-16(21)15-24-23(28)19-14-22(27)25-20-8-7-17(13-18(19)20)32(29)26-9-11-30-12-10-26/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfinyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70342401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).