N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide

C32H31N3O2 — CID 6140321

IUPACN-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1CN1CCCc2ccccc21
InChIInChI=1S/C32H31N3O2/c1-37-30-19-18-24(21-28(30)23-35-20-10-16-25-11-8-9-17-29(25)35)22-33-34-32(36)31(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17-19,21-22,31H,10,16,20,23H2,1H3,(H,34,36)/b33-22-
InChIKeyGZRQSPDMUNQNJQ-NVMPUMLXSA-N
MW489.62 g/mol
LogP5.93
Rot. Bonds8

About N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide

N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide (PubChem CID 6140321) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide
PubChem CID6140321
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC NameN-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1CN1CCCc2ccccc21
InChIInChI=1S/C32H31N3O2/c1-37-30-19-18-24(21-28(30)23-35-20-10-16-25-11-8-9-17-29(25)35)22-33-34-32(36)31(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17-19,21-22,31H,10,16,20,23H2,1H3,(H,34,36)/b33-22-
InChIKeyGZRQSPDMUNQNJQ-NVMPUMLXSA-N
XLogP5.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
CID 6140320
N-[[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-iodobenzamide
CID 4525654
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
(2S)-2-[(2,2-diphenylacetyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanamide
CID 136720882

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide (CID 6140321) is N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide is COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1CN1CCCc2ccccc21.
What is the InChIKey of N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide?
The InChIKey is GZRQSPDMUNQNJQ-NVMPUMLXSA-N. The full InChI is InChI=1S/C32H31N3O2/c1-37-30-19-18-24(21-28(30)23-35-20-10-16-25-11-8-9-17-29(25)35)22-33-34-32(36)31(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17-19,21-22,31H,10,16,20,23H2,1H3,(H,34,36)/b33-22-.
What are the key properties of N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide?
N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide has a molecular weight of 489.62 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 6140321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).