N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide

C21H22N2O3 — CID 137259526

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccc(OC(C)C)cc3)C=C2NC1=O
InChIInChI=1S/C21H22N2O3/c1-12(2)26-17-8-5-15(6-9-17)21(25)22-16-7-10-18-13(3)14(4)20(24)23-19(18)11-16/h5-12,18H,1-4H3,(H,23,24)/b22-16+
InChIKeyDNZNBUSLINNXLO-CJLVFECKSA-N
MW350.42 g/mol
LogP3.59
Rot. Bonds3

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide (PubChem CID 137259526) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
PubChem CID137259526
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccc(OC(C)C)cc3)C=C2NC1=O
InChIInChI=1S/C21H22N2O3/c1-12(2)26-17-8-5-15(6-9-17)21(25)22-16-7-10-18-13(3)14(4)20(24)23-19(18)11-16/h5-12,18H,1-4H3,(H,23,24)/b22-16+
InChIKeyDNZNBUSLINNXLO-CJLVFECKSA-N
XLogP3.59
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
CID 137259733
3-chloro-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,2-dimethylpropanamide
CID 137259410
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259694
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
CID 155173763
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide
CID 137259847

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide (CID 137259526) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide is CC1=C(C)C2C=C/C(=N\C(=O)c3ccc(OC(C)C)cc3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The InChIKey is DNZNBUSLINNXLO-CJLVFECKSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12(2)26-17-8-5-15(6-9-17)21(25)22-16-7-10-18-13(3)14(4)20(24)23-19(18)11-16/h5-12,18H,1-4H3,(H,23,24)/b22-16+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 137259526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).