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

C32H34N4O2S — CID 17285270

IUPACN-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCSCC4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C32H34N4O2S/c1-3-6-23-9-12-25(13-10-23)30-20-28(27-7-4-5-8-29(27)34-30)32(37)35-33-21-24-11-14-31(38-2)26(19-24)22-36-15-17-39-18-16-36/h4-5,7-14,19-21H,3,6,15-18,22H2,1-2H3,(H,35,37)/b33-21+
InChIKeyOSURLYRFSRELBK-QNKGDIEWSA-N
MW538.72 g/mol
LogP6.18
Rot. Bonds9

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

N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide (PubChem CID 17285270) has the molecular formula C32H34N4O2S and a molecular weight of 538.72 g/mol. Its IUPAC name is N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
PubChem CID17285270
Molecular FormulaC32H34N4O2S
Molecular Weight538.72 g/mol
Exact Mass538.24
IUPAC NameN-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCSCC4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C32H34N4O2S/c1-3-6-23-9-12-25(13-10-23)30-20-28(27-7-4-5-8-29(27)34-30)32(37)35-33-21-24-11-14-31(38-2)26(19-24)22-36-15-17-39-18-16-36/h4-5,7-14,19-21H,3,6,15-18,22H2,1-2H3,(H,35,37)/b33-21+
InChIKeyOSURLYRFSRELBK-QNKGDIEWSA-N
XLogP6.18
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.72
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
CID 6873346
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1226426
ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
2-(4-ethylphenyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6874714
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(E)-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047111
2-(4-tert-butylphenyl)-N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
CID 3296988

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide (CID 17285270) is N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCSCC4)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The InChIKey is OSURLYRFSRELBK-QNKGDIEWSA-N. The full InChI is InChI=1S/C32H34N4O2S/c1-3-6-23-9-12-25(13-10-23)30-20-28(27-7-4-5-8-29(27)34-30)32(37)35-33-21-24-11-14-31(38-2)26(19-24)22-36-15-17-39-18-16-36/h4-5,7-14,19-21H,3,6,15-18,22H2,1-2H3,(H,35,37)/b33-21+.
What are the key properties of N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide has a molecular weight of 538.72 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 17285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).