N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide

C21H23N3O3 — CID 7656803

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C21H23N3O3/c1-14-5-7-16(8-6-14)13-22-20(26)21(27)23-18-9-10-19-17(12-18)4-3-11-24(19)15(2)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOPABCMIBQNEKNQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.55
Rot. Bonds3

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 7656803) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID7656803
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C21H23N3O3/c1-14-5-7-16(8-6-14)13-22-20(26)21(27)23-18-9-10-19-17(12-18)4-3-11-24(19)15(2)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOPABCMIBQNEKNQ-UHFFFAOYSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 7657138
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide (CID 7656803) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide is CC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(C)cc3)ccc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is OPABCMIBQNEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-7-16(8-6-14)13-22-20(26)21(27)23-18-9-10-19-17(12-18)4-3-11-24(19)15(2)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 365.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 7656803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).