N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide

C21H23N3O2 — CID 46288149

IUPACN-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
SMILESCCOCCCNC(=O)c1c(-c2ccccc2)nnc2ccc(C)cc12
InChIInChI=1S/C21H23N3O2/c1-3-26-13-7-12-22-21(25)19-17-14-15(2)10-11-18(17)23-24-20(19)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,25)
InChIKeyNFIIIXOAIHZTTA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.76
Rot. Bonds7

About N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide

N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide (PubChem CID 46288149) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
PubChem CID46288149
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
SMILESCCOCCCNC(=O)c1c(-c2ccccc2)nnc2ccc(C)cc12
InChIInChI=1S/C21H23N3O2/c1-3-26-13-7-12-22-21(25)19-17-14-15(2)10-11-18(17)23-24-20(19)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,25)
InChIKeyNFIIIXOAIHZTTA-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288010
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111222186
ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 46287929
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
N-(3-ethoxypropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 50831338
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide (CID 46288149) is N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide is CCOCCCNC(=O)c1c(-c2ccccc2)nnc2ccc(C)cc12.
What is the InChIKey of N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The InChIKey is NFIIIXOAIHZTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-26-13-7-12-22-21(25)19-17-14-15(2)10-11-18(17)23-24-20(19)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).