2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide

C31H32N4O4 — CID 6873346

IUPAC2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c3ccccc3n2)c1
InChIInChI=1S/C31H32N4O4/c1-3-39-25-8-6-7-23(18-25)29-19-27(26-9-4-5-10-28(26)33-29)31(36)34-32-20-22-11-12-30(37-2)24(17-22)21-35-13-15-38-16-14-35/h4-12,17-20H,3,13-16,21H2,1-2H3,(H,34,36)/b32-20+
InChIKeyHDAJPHABDIEHDY-UZWMFBFFSA-N
MW524.62 g/mol
LogP4.91
Rot. Bonds9

About 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide

2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide (PubChem CID 6873346) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
PubChem CID6873346
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Name2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c3ccccc3n2)c1
InChIInChI=1S/C31H32N4O4/c1-3-39-25-8-6-7-23(18-25)29-19-27(26-9-4-5-10-28(26)33-29)31(36)34-32-20-22-11-12-30(37-2)24(17-22)21-35-13-15-38-16-14-35/h4-12,17-20H,3,13-16,21H2,1-2H3,(H,34,36)/b32-20+
InChIKeyHDAJPHABDIEHDY-UZWMFBFFSA-N
XLogP4.91
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.91
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'}

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Related Compounds

N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 17285270
2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
CID 3296988
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
2-(3-butoxyphenyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6873333
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046719
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 1012318
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide (CID 6873346) is 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide is CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide?
The InChIKey is HDAJPHABDIEHDY-UZWMFBFFSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-3-39-25-8-6-7-23(18-25)29-19-27(26-9-4-5-10-28(26)33-29)31(36)34-32-20-22-11-12-30(37-2)24(17-22)21-35-13-15-38-16-14-35/h4-12,17-20H,3,13-16,21H2,1-2H3,(H,34,36)/b32-20+.
What are the key properties of 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide?
2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6873346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).