4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide

C25H26N2O2 — CID 46763220

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H26N2O2/c1-2-29-23-10-5-9-22(17-23)26-25(28)21-14-12-19(13-15-21)18-27-16-6-8-20-7-3-4-11-24(20)27/h3-5,7,9-15,17H,2,6,8,16,18H2,1H3,(H,26,28)
InChIKeyYXCVLTZAERCENY-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide (PubChem CID 46763220) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
PubChem CID46763220
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H26N2O2/c1-2-29-23-10-5-9-22(17-23)26-25(28)21-14-12-19(13-15-21)18-27-16-6-8-20-7-3-4-11-24(20)27/h3-5,7,9-15,17H,2,6,8,16,18H2,1H3,(H,26,28)
InChIKeyYXCVLTZAERCENY-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide (CID 46763220) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide is CCOc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide?
The InChIKey is YXCVLTZAERCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-29-23-10-5-9-22(17-23)26-25(28)21-14-12-19(13-15-21)18-27-16-6-8-20-7-3-4-11-24(20)27/h3-5,7,9-15,17H,2,6,8,16,18H2,1H3,(H,26,28).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 46763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).