N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide

C23H26N2O3 — CID 137259733

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-14(2)28-17-9-6-15(7-10-17)22(27)24-16-8-11-18-19(23(3,4)5)13-21(26)25-20(18)12-16/h6-14,18H,1-5H3,(H,25,26)/b24-16+
InChIKeyZEOFWJFWXNIYQP-LFVJCYFKSA-N
MW378.47 g/mol
LogP4.23
Rot. Bonds3

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

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide (PubChem CID 137259733) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
PubChem CID137259733
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-14(2)28-17-9-6-15(7-10-17)22(27)24-16-8-11-18-19(23(3,4)5)13-21(26)25-20(18)12-16/h6-14,18H,1-5H3,(H,25,26)/b24-16+
InChIKeyZEOFWJFWXNIYQP-LFVJCYFKSA-N
XLogP4.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
CID 137259526
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
methyl 3-(2-methoxyethyl)-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 4177376
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide (CID 137259733) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
The InChIKey is ZEOFWJFWXNIYQP-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14(2)28-17-9-6-15(7-10-17)22(27)24-16-8-11-18-19(23(3,4)5)13-21(26)25-20(18)12-16/h6-14,18H,1-5H3,(H,25,26)/b24-16+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide has a molecular weight of 378.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 137259733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).