N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide

C26H22N4O3 — CID 44569580

IUPACN-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C26H22N4O3/c1-16-13-24(30-25(32)18-7-4-3-5-8-18)22-15-21(11-12-23(22)27-16)29-26(33)28-20-10-6-9-19(14-20)17(2)31/h3-15H,1-2H3,(H,27,30,32)(H2,28,29,33)
InChIKeyFDYQBBHBDAHLNS-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.64
Rot. Bonds5

About N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide

N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide (PubChem CID 44569580) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
PubChem CID44569580
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C26H22N4O3/c1-16-13-24(30-25(32)18-7-4-3-5-8-18)22-15-21(11-12-23(22)27-16)29-26(33)28-20-10-6-9-19(14-20)17(2)31/h3-15H,1-2H3,(H,27,30,32)(H2,28,29,33)
InChIKeyFDYQBBHBDAHLNS-UHFFFAOYSA-N
XLogP5.64
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The IUPAC name of N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide (CID 44569580) is N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide.
What is the SMILES notation for N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The canonical SMILES for N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide is CC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccccc4)c3c2)c1.
What is the InChIKey of N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The InChIKey is FDYQBBHBDAHLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-16-13-24(30-25(32)18-7-4-3-5-8-18)22-15-21(11-12-23(22)27-16)29-26(33)28-20-10-6-9-19(14-20)17(2)31/h3-15H,1-2H3,(H,27,30,32)(H2,28,29,33).
What are the key properties of N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide has a molecular weight of 438.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide is sourced from PubChem (CID 44569580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).