N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide

C23H19N3O2 — CID 46287991

IUPACN-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)24-23(27)21-19-10-6-7-11-20(19)25-26-22(21)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyLWGPGDLSHYYISK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.95
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide

N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide (PubChem CID 46287991) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
PubChem CID46287991
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)24-23(27)21-19-10-6-7-11-20(19)25-26-22(21)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyLWGPGDLSHYYISK-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288104
N-(4-ethoxyphenyl)-2-(2-ethylquinazolin-4-yl)oxyacetamide
CID 46391636
5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2198505
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide (CID 46287991) is N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide is CCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The InChIKey is LWGPGDLSHYYISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)24-23(27)21-19-10-6-7-11-20(19)25-26-22(21)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46287991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).