N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C29H29N5O6S — CID 167769192

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)c2)c1
InChIInChI=1S/C29H29N5O6S/c1-19-4-2-6-21(14-19)31-29(37)32-22-7-3-5-20(15-22)18-30-28(36)25-17-27(35)33-26-9-8-23(16-24(25)26)41(38,39)34-10-12-40-13-11-34/h2-9,14-17H,10-13,18H2,1H3,(H,30,36)(H,33,35)(H2,31,32,37)
InChIKeyPLILEIFXLVQQEZ-UHFFFAOYSA-N
MW575.65 g/mol
LogP3.43
Rot. Bonds7

About N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 167769192) has the molecular formula C29H29N5O6S and a molecular weight of 575.65 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID167769192
Molecular FormulaC29H29N5O6S
Molecular Weight575.65 g/mol
Exact Mass575.18
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)c2)c1
InChIInChI=1S/C29H29N5O6S/c1-19-4-2-6-21(14-19)31-29(37)32-22-7-3-5-20(15-22)18-30-28(36)25-17-27(35)33-26-9-8-23(16-24(25)26)41(38,39)34-10-12-40-13-11-34/h2-9,14-17H,10-13,18H2,1H3,(H,30,36)(H,33,35)(H2,31,32,37)
InChIKeyPLILEIFXLVQQEZ-UHFFFAOYSA-N
XLogP3.43
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.65
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55671311
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 167769192) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)c2)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is PLILEIFXLVQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O6S/c1-19-4-2-6-21(14-19)31-29(37)32-22-7-3-5-20(15-22)18-30-28(36)25-17-27(35)33-26-9-8-23(16-24(25)26)41(38,39)34-10-12-40-13-11-34/h2-9,14-17H,10-13,18H2,1H3,(H,30,36)(H,33,35)(H2,31,32,37).
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 575.65 g/mol, XLogP of 3.43, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 167769192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).