4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide

C20H23N3O2 — CID 136524519

IUPAC4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2CCCc3c(NC(C)=O)cccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)22-18-6-3-7-19-17(18)5-4-12-23(19)13-15-8-10-16(11-9-15)20(25)21-2/h3,6-11H,4-5,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyCIJJJCLIQFPANV-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds4

About 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide

4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide (PubChem CID 136524519) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide
PubChem CID136524519
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2CCCc3c(NC(C)=O)cccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)22-18-6-3-7-19-17(18)5-4-12-23(19)13-15-8-10-16(11-9-15)20(25)21-2/h3,6-11H,4-5,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyCIJJJCLIQFPANV-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 120751341
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 119955425
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
5-benzyl-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134809976
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide (CID 136524519) is 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN2CCCc3c(NC(C)=O)cccc32)cc1.
What is the InChIKey of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is CIJJJCLIQFPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)22-18-6-3-7-19-17(18)5-4-12-23(19)13-15-8-10-16(11-9-15)20(25)21-2/h3,6-11H,4-5,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide?
4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 136524519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).