[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate

C26H24N2O4 — CID 19607914

IUPAC[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H24N2O4/c1-17-7-3-4-8-21(17)25(30)27-20-13-11-19(12-14-20)26(31)28-16-15-24(32-18(2)29)22-9-5-6-10-23(22)28/h3-14,24H,15-16H2,1-2H3,(H,27,30)
InChIKeyALFHRPYYVHAJTQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.90
Rot. Bonds4

About [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate

[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate (PubChem CID 19607914) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate.

Molecular Properties

Compound Name[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate
PubChem CID19607914
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H24N2O4/c1-17-7-3-4-8-21(17)25(30)27-20-13-11-19(12-14-20)26(31)28-16-15-24(32-18(2)29)22-9-5-6-10-23(22)28/h3-14,24H,15-16H2,1-2H3,(H,27,30)
InChIKeyALFHRPYYVHAJTQ-UHFFFAOYSA-N
XLogP4.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5R)-5-(methoxymethoxy)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 139726301
N-[4-[(5R)-5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 51397025
N-[4-[5-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 19607940
N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70062128
ethyl 2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]acetate
CID 10743970
N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
CID 57135530
2-methyl-N-[4-[(5R)-5-[methyl-(2,2,2-trifluoroacetyl)amino]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
CID 139633784
potassium;hydride;2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]acetic acid
CID 173251401
N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70067704
2-methyl-N-[4-(3-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 67671274
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
N-[4-(5-hydroxy-9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 132822145

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate?
The IUPAC name of [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate (CID 19607914) is [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate.
What is the SMILES notation for [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate?
The canonical SMILES for [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate is CC(=O)OC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21.
What is the InChIKey of [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate?
The InChIKey is ALFHRPYYVHAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-7-3-4-8-21(17)25(30)27-20-13-11-19(12-14-20)26(31)28-16-15-24(32-18(2)29)22-9-5-6-10-23(22)28/h3-14,24H,15-16H2,1-2H3,(H,27,30).
What are the key properties of [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate?
[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate has a molecular weight of 428.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate is sourced from PubChem (CID 19607914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).