(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C25H22N4O2 — CID 19161919

IUPAC(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/Nc1ccccc1)CCC2
InChIInChI=1S/C25H22N4O2/c1-16-22-19(29-28-18-10-3-2-4-11-18)12-6-14-21(22)31-24(16)25(30)27-20-13-5-8-17-9-7-15-26-23(17)20/h2-5,7-11,13,15,28H,6,12,14H2,1H3,(H,27,30)/b29-19+
InChIKeyAGDLQHWCRXRZAN-VUTHCHCSSA-N
MW410.48 g/mol
LogP5.54
Rot. Bonds4

About (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19161919) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19161919
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/Nc1ccccc1)CCC2
InChIInChI=1S/C25H22N4O2/c1-16-22-19(29-28-18-10-3-2-4-11-18)12-6-14-21(22)31-24(16)25(30)27-20-13-5-8-17-9-7-15-26-23(17)20/h2-5,7-11,13,15,28H,6,12,14H2,1H3,(H,27,30)/b29-19+
InChIKeyAGDLQHWCRXRZAN-VUTHCHCSSA-N
XLogP5.54
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-3-methyl-N-quinolin-8-yl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161752
(4E)-3-methyl-4-(phenylhydrazinylidene)-N-pyridin-2-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161910
ethyl N-[(E)-[3-methyl-2-(quinolin-8-ylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]carbamate
CID 19162757
(4E)-4-[(4-methoxybenzoyl)hydrazinylidene]-3-methyl-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158226
(4E)-N-(2,4-difluorophenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161913
(4E)-3-methyl-N-naphthalen-1-yl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161674
(4E)-N-(4-ethoxyphenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161871
(4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161923
(4E)-N-(5-chloro-2-phenoxyphenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161900
N-[(E)-[3-methyl-2-[(2-methylphenyl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-2-carboxamide
CID 19158667
N-[(E)-[3-methyl-2-(phenylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158498
(4E)-3-methyl-4-[(2-phenoxyacetyl)hydrazinylidene]-N-quinolin-5-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19160241

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19161919) is (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/Nc1ccccc1)CCC2.
What is the InChIKey of (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is AGDLQHWCRXRZAN-VUTHCHCSSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-22-19(29-28-18-10-3-2-4-11-18)12-6-14-21(22)31-24(16)25(30)27-20-13-5-8-17-9-7-15-26-23(17)20/h2-5,7-11,13,15,28H,6,12,14H2,1H3,(H,27,30)/b29-19+.
What are the key properties of (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-4-(phenylhydrazinylidene)-N-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19161919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).