2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide

C34H38N4O4 — CID 3296988

IUPAC2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C34H38N4O4/c1-34(2,3)26-12-10-25(11-13-26)30-22-28(27-7-5-6-8-29(27)36-30)33(39)37-35-23-24-9-14-31(32(21-24)40-4)42-20-17-38-15-18-41-19-16-38/h5-14,21-23H,15-20H2,1-4H3,(H,37,39)
InChIKeyQUBINXBVHLIHBG-UHFFFAOYSA-N
MW566.70 g/mol
LogP5.68
Rot. Bonds9

About 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide

2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide (PubChem CID 3296988) has the molecular formula C34H38N4O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
PubChem CID3296988
Molecular FormulaC34H38N4O4
Molecular Weight566.70 g/mol
Exact Mass566.29
IUPAC Name2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C34H38N4O4/c1-34(2,3)26-12-10-25(11-13-26)30-22-28(27-7-5-6-8-29(27)36-30)33(39)37-35-23-24-9-14-31(32(21-24)40-4)42-20-17-38-15-18-41-19-16-38/h5-14,21-23H,15-20H2,1-4H3,(H,37,39)
InChIKeyQUBINXBVHLIHBG-UHFFFAOYSA-N
XLogP5.68
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
CID 6873346
ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
N-[(E)-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047111
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046719
N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(Z)-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5431219
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide (CID 3296988) is 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide is COc1cc(C=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide?
The InChIKey is QUBINXBVHLIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4/c1-34(2,3)26-12-10-25(11-13-26)30-22-28(27-7-5-6-8-29(27)36-30)33(39)37-35-23-24-9-14-31(32(21-24)40-4)42-20-17-38-15-18-41-19-16-38/h5-14,21-23H,15-20H2,1-4H3,(H,37,39).
What are the key properties of 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide?
2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 3296988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).