4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide

C25H24N2O2 — CID 109046889

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-18-6-4-7-19(16-18)17-26-24(28)21-11-13-22(14-12-21)25(29)27-15-5-9-20-8-2-3-10-23(20)27/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,28)
InChIKeySDNFZCUQXRQIOE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.52
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 109046889) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
PubChem CID109046889
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-18-6-4-7-19(16-18)17-26-24(28)21-11-13-22(14-12-21)25(29)27-15-5-9-20-8-2-3-10-23(20)27/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,28)
InChIKeySDNFZCUQXRQIOE-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
N-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338629
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide (CID 109046889) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is SDNFZCUQXRQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-6-4-7-19(16-18)17-26-24(28)21-11-13-22(14-12-21)25(29)27-15-5-9-20-8-2-3-10-23(20)27/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,26,28).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 109046889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).