N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C30H29N3O3 — CID 126044234

IUPACN-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESC=CCc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCC
InChIInChI=1S/C30H29N3O3/c1-4-12-23-17-21(18-28(35-5-2)29(23)36-6-3)20-31-33-30(34)25-19-27(22-13-8-7-9-14-22)32-26-16-11-10-15-24(25)26/h4,7-11,13-20H,1,5-6,12H2,2-3H3,(H,33,34)/b31-20+
InChIKeyUCENPQIDWJCTHK-AJBULDERSA-N
MW479.58 g/mol
LogP6.19
Rot. Bonds10

About N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126044234) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126044234
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESC=CCc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCC
InChIInChI=1S/C30H29N3O3/c1-4-12-23-17-21(18-28(35-5-2)29(23)36-6-3)20-31-33-30(34)25-19-27(22-13-8-7-9-14-22)32-26-16-11-10-15-24(25)26/h4,7-11,13-20H,1,5-6,12H2,2-3H3,(H,33,34)/b31-20+
InChIKeyUCENPQIDWJCTHK-AJBULDERSA-N
XLogP6.19
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049865
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126051206
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046719
N-[(E)-[4-[(4-iodophenyl)methoxy]-3-prop-2-enylphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054166
4-[[2-ethoxy-6-iodo-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126055710
N-[(E)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126035954
N-[(E)-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046892
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047213
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(E)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036355
2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126055611

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126044234) is N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is C=CCc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCC.
What is the InChIKey of N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is UCENPQIDWJCTHK-AJBULDERSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-4-12-23-17-21(18-28(35-5-2)29(23)36-6-3)20-31-33-30(34)25-19-27(22-13-8-7-9-14-22)32-26-16-11-10-15-24(25)26/h4,7-11,13-20H,1,5-6,12H2,2-3H3,(H,33,34)/b31-20+.
What are the key properties of N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-diethoxy-5-prop-2-enylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126044234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).