3-acetamido-N-(2-methylquinolin-8-yl)benzamide

C19H17N3O2 — CID 110745574

IUPAC3-acetamido-N-(2-methylquinolin-8-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-10-14-5-4-8-17(18(14)20-12)22-19(24)15-6-3-7-16(11-15)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPPBFJWBHFOLLDA-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.75
Rot. Bonds3

About 3-acetamido-N-(2-methylquinolin-8-yl)benzamide

3-acetamido-N-(2-methylquinolin-8-yl)benzamide (PubChem CID 110745574) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-acetamido-N-(2-methylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-methylquinolin-8-yl)benzamide
PubChem CID110745574
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-acetamido-N-(2-methylquinolin-8-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-10-14-5-4-8-17(18(14)20-12)22-19(24)15-6-3-7-16(11-15)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPPBFJWBHFOLLDA-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
4-(ethylamino)-N-(2-methylquinolin-8-yl)benzamide
CID 118902356
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide
CID 168859940

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-methylquinolin-8-yl)benzamide?
The IUPAC name of 3-acetamido-N-(2-methylquinolin-8-yl)benzamide (CID 110745574) is 3-acetamido-N-(2-methylquinolin-8-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-methylquinolin-8-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-methylquinolin-8-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1.
What is the InChIKey of 3-acetamido-N-(2-methylquinolin-8-yl)benzamide?
The InChIKey is PPBFJWBHFOLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-9-10-14-5-4-8-17(18(14)20-12)22-19(24)15-6-3-7-16(11-15)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-(2-methylquinolin-8-yl)benzamide?
3-acetamido-N-(2-methylquinolin-8-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-methylquinolin-8-yl)benzamide is sourced from PubChem (CID 110745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).