N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide

C26H24N4O4S — CID 44561800

IUPACN-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C26H24N4O4S/c1-17-9-11-21(28-25(31)19-6-4-8-22(15-19)30(2)35(3,33)34)16-24(17)29-26(32)20-10-12-23-18(14-20)7-5-13-27-23/h4-16H,1-3H3,(H,28,31)(H,29,32)
InChIKeyDQFMRMLWLAESEZ-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.44
Rot. Bonds6

About N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide

N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide (PubChem CID 44561800) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide
PubChem CID44561800
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C26H24N4O4S/c1-17-9-11-21(28-25(31)19-6-4-8-22(15-19)30(2)35(3,33)34)16-24(17)29-26(32)20-10-12-23-18(14-20)7-5-13-27-23/h4-16H,1-3H3,(H,28,31)(H,29,32)
InChIKeyDQFMRMLWLAESEZ-UHFFFAOYSA-N
XLogP4.44
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide (CID 44561800) is N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide is Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide?
The InChIKey is DQFMRMLWLAESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-17-9-11-21(28-25(31)19-6-4-8-22(15-19)30(2)35(3,33)34)16-24(17)29-26(32)20-10-12-23-18(14-20)7-5-13-27-23/h4-16H,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide?
N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-[methyl(methylsulfonyl)amino]benzoyl]amino]phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 44561800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).