N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide

C25H24N4O2 — CID 135503403

IUPACN'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24N4O2/c1-17(18-10-4-2-5-11-18)26-24(30)25(31)29-28-23-16-22(19-12-6-3-7-13-19)27-21-15-9-8-14-20(21)23/h2-15,17,22,27H,16H2,1H3,(H,26,30)(H,29,31)/t17?,22-/m0/s1
InChIKeyKSMXVBWVKOAUPU-UGNFMNBCSA-N
MW412.49 g/mol
LogP3.94
Rot. Bonds4

About N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide

N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide (PubChem CID 135503403) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide
PubChem CID135503403
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24N4O2/c1-17(18-10-4-2-5-11-18)26-24(30)25(31)29-28-23-16-22(19-12-6-3-7-13-19)27-21-15-9-8-14-20(21)23/h2-15,17,22,27H,16H2,1H3,(H,26,30)(H,29,31)/t17?,22-/m0/s1
InChIKeyKSMXVBWVKOAUPU-UGNFMNBCSA-N
XLogP3.94
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide with MolForge

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Related Compounds

N'-[(E)-(2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene)amino]-N-(1-phenylethyl)oxamide
CID 135510061
N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
CID 3113987
N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
CID 7105948
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850

Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide (CID 135503403) is N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=C1C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1.
What is the InChIKey of N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide?
The InChIKey is KSMXVBWVKOAUPU-UGNFMNBCSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17(18-10-4-2-5-11-18)26-24(30)25(31)29-28-23-16-22(19-12-6-3-7-13-19)27-21-15-9-8-14-20(21)23/h2-15,17,22,27H,16H2,1H3,(H,26,30)(H,29,31)/t17?,22-/m0/s1.
What are the key properties of N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide?
N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide has a molecular weight of 412.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 135503403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).