3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide

C23H25N3O2 — CID 118779645

IUPAC3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-17-15-21(20-7-2-3-8-22(20)25-17)18-5-4-6-19(16-18)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27)
InChIKeyVVUPREXTCWKWOH-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds5

About 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide

3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 118779645) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID118779645
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-17-15-21(20-7-2-3-8-22(20)25-17)18-5-4-6-19(16-18)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27)
InChIKeyVVUPREXTCWKWOH-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 117085245
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
4-methyl-N-(2-morpholin-4-ylethyl)furo[3,2-c]quinoline-2-carboxamide
CID 20868544
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 118779645) is 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c2ccccc2n1.
What is the InChIKey of 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VVUPREXTCWKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-15-21(20-7-2-3-8-22(20)25-17)18-5-4-6-19(16-18)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27).
What are the key properties of 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 118779645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).