N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide

C24H21N3O2 — CID 134015451

IUPACN-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-23-17-25-27(22-14-8-7-13-21(22)23)16-15-24(29)26(20-11-5-2-6-12-20)18-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2
InChIKeyUKRUVVRTXZJKRA-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.02
Rot. Bonds6

About N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide

N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide (PubChem CID 134015451) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
PubChem CID134015451
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-23-17-25-27(22-14-8-7-13-21(22)23)16-15-24(29)26(20-11-5-2-6-12-20)18-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2
InChIKeyUKRUVVRTXZJKRA-UHFFFAOYSA-N
XLogP4.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
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2-(1-Benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone
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3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-(o-tolyl)propanamide
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2-(benzoylamino)-N-benzyl-N-methylbenzamide
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3-Benzyl-2,2-dioxo-1-phenethyl-2$l^{6},1,3-benzothiadiazin-4-one
CID 484100
1-[(4-Fluorophenyl)methyl]cinnolin-4-one
CID 8169271
N,N-Dibenzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 1206778
3-((4-(Dimethylamino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone
CID 9556296
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-oxo-4-phenyl-3-butenyl)-
CID 6435967
3-(4-oxocinnolin-1(4H)-yl)propanoic acid
CID 7131573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide (CID 134015451) is N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide is O=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide?
The InChIKey is UKRUVVRTXZJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23-17-25-27(22-14-8-7-13-21(22)23)16-15-24(29)26(20-11-5-2-6-12-20)18-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2.
What are the key properties of N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide?
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 134015451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).