N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide

C22H19N3O2 — CID 86834839

IUPACN-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
SMILESCN(C(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-24(19-12-6-8-16-7-2-3-9-17(16)19)22(27)13-14-25-20-11-5-4-10-18(20)21(26)15-23-25/h2-12,15H,13-14H2,1H3
InChIKeyDVERGPWMWVNJGX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide

N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 86834839) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID86834839
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
SMILESCN(C(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-24(19-12-6-8-16-7-2-3-9-17(16)19)22(27)13-14-25-20-11-5-4-10-18(20)21(26)15-23-25/h2-12,15H,13-14H2,1H3
InChIKeyDVERGPWMWVNJGX-UHFFFAOYSA-N
XLogP3.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benzo(d)(1,2,3)triazin-4(3H)-one
CID 24777378
2-Naphthalen-2-ylphthalazin-1-one
CID 730347
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-(o-tolyl)propanamide
CID 1883246
N3-(1-naphthyl)-1-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 11559736
N3-(1-naphthyl)-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide
CID 11660978
N3-(1-naphthyl)-1-hexyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 11703995
3-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propyl)benzo[d][1,2,3]triazin-4(3H)-one
CID 24777372
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-(m-tolyl)propanamide
CID 1881614
{1-[2-(Dimethylamino)benzoyl]-3-piperidinyl}(2-naphthyl)methanone
CID 16188644
4-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 2556063
N-Ethyl-N-(1-naphthyl)benzamide
CID 2814059
N-naphthalen-2-yl-4-oxo-1-pentylquinoline-3-carboxamide
CID 11675381

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide (CID 86834839) is N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide is CN(C(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is DVERGPWMWVNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-24(19-12-6-8-16-7-2-3-9-17(16)19)22(27)13-14-25-20-11-5-4-10-18(20)21(26)15-23-25/h2-12,15H,13-14H2,1H3.
What are the key properties of N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide?
N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 86834839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).