2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide

C26H21N3O2 — CID 126055611

IUPAC2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H21N3O2/c1-2-16-31-25-15-9-6-12-20(25)18-27-29-26(30)22-17-24(19-10-4-3-5-11-19)28-23-14-8-7-13-21(22)23/h2-15,17-18H,1,16H2,(H,29,30)/b27-18+
InChIKeyYDTYEUUTHVAJBZ-OVVQPSECSA-N
MW407.47 g/mol
LogP5.23
Rot. Bonds7

About 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 126055611) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID126055611
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H21N3O2/c1-2-16-31-25-15-9-6-12-20(25)18-27-29-26(30)22-17-24(19-10-4-3-5-11-19)28-23-14-8-7-13-21(22)23/h2-15,17-18H,1,16H2,(H,29,30)/b27-18+
InChIKeyYDTYEUUTHVAJBZ-OVVQPSECSA-N
XLogP5.23
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046892
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126044234
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040006
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(Z)-(5-iodo-3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126038627

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 126055611) is 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide is C=CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is YDTYEUUTHVAJBZ-OVVQPSECSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-2-16-31-25-15-9-6-12-20(25)18-27-29-26(30)22-17-24(19-10-4-3-5-11-19)28-23-14-8-7-13-21(22)23/h2-15,17-18H,1,16H2,(H,29,30)/b27-18+.
What are the key properties of 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 126055611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).