N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide

C21H22N2O3 — CID 18952446

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)c1
InChIInChI=1S/C21H22N2O3/c1-4-10-26-16-7-5-6-14(11-16)20(25)22-15-8-9-17-18(12-15)23-19(24)13-21(17,2)3/h4-9,11-12H,1,10,13H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyLFIQROJAJXJPGV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds5

About N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide (PubChem CID 18952446) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
PubChem CID18952446
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)c1
InChIInChI=1S/C21H22N2O3/c1-4-10-26-16-7-5-6-14(11-16)20(25)22-15-8-9-17-18(12-15)23-19(24)13-21(17,2)3/h4-9,11-12H,1,10,13H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyLFIQROJAJXJPGV-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-pyridin-3-ylprop-2-enamide
CID 18952464
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane
CID 143219465
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-6-hydroxyhexanamide
CID 18952427
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
CID 18952407
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
CID 75361159
3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2995099

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide (CID 18952446) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide is C=CCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)c1.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide?
The InChIKey is LFIQROJAJXJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-10-26-16-7-5-6-14(11-16)20(25)22-15-8-9-17-18(12-15)23-19(24)13-21(17,2)3/h4-9,11-12H,1,10,13H2,2-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide is sourced from PubChem (CID 18952446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).