N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide

C29H24N2O3 — CID 22405231

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C29H24N2O3/c32-28(25-13-5-7-15-27(25)34-24-11-2-1-3-12-24)30-23-18-16-22(17-19-23)29(33)31-20-8-10-21-9-4-6-14-26(21)31/h1-7,9,11-19H,8,10,20H2,(H,30,32)
InChIKeyJFSOIBPKNOLMDR-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.32
Rot. Bonds5

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide (PubChem CID 22405231) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide
PubChem CID22405231
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C29H24N2O3/c32-28(25-13-5-7-15-27(25)34-24-11-2-1-3-12-24)30-23-18-16-22(17-19-23)29(33)31-20-8-10-21-9-4-6-14-26(21)31/h1-7,9,11-19H,8,10,20H2,(H,30,32)
InChIKeyJFSOIBPKNOLMDR-UHFFFAOYSA-N
XLogP6.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
2-[2-(diethylamino)-2-oxoethoxy]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607789
2-phenoxy-N-phenylbenzamide
CID 3402306
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
(1S,6R)-6-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7372088
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
2-(3-methylphenyl)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 10742640

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide (CID 22405231) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide?
The InChIKey is JFSOIBPKNOLMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-28(25-13-5-7-15-27(25)34-24-11-2-1-3-12-24)30-23-18-16-22(17-19-23)29(33)31-20-8-10-21-9-4-6-14-26(21)31/h1-7,9,11-19H,8,10,20H2,(H,30,32).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide has a molecular weight of 448.52 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide is sourced from PubChem (CID 22405231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).