N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H24N2O3 — CID 10023920

IUPACN-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C25H24N2O3/c1-17-16-24(27(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)26(17)25(30)19-12-14-21(29)15-13-19/h3-15,17,24,29H,16H2,1-2H3
InChIKeyCGIGUSYFFXLHIB-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.93
Rot. Bonds3

About N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10023920) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10023920
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C25H24N2O3/c1-17-16-24(27(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)26(17)25(30)19-12-14-21(29)15-13-19/h3-15,17,24,29H,16H2,1-2H3
InChIKeyCGIGUSYFFXLHIB-UHFFFAOYSA-N
XLogP4.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ZM 336372
CID 5730
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
4-Hydroxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)benzamide
CID 54736
N,N-diethyl-4-((3-hydroxyphenyl)(1-methylpiperidin-4-yl)amino)benzamide
CID 45485826
N,N-diethyl-4-((1-(2-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486011
N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486035
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((3-hydroxyphenyl)(1-(4-methylphenethyl)piperidin-4-yl)amino)benzamide
CID 45486101
N-(1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3135989
1-[1-(4-Methoxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969535
1-[1-(4-Ethoxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969536

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10023920) is N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is CGIGUSYFFXLHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-16-24(27(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)26(17)25(30)19-12-14-21(29)15-13-19/h3-15,17,24,29H,16H2,1-2H3.
What are the key properties of N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10023920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).