N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide

C22H24N2O4 — CID 50959115

IUPACN-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESC=C(C)COc1ccccc1C1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21
InChIInChI=1S/C22H24N2O4/c1-13(2)12-28-20-8-6-5-7-15(20)16-10-22(26)24-18-11-19(23-14(3)25)21(27-4)9-17(16)18/h5-9,11,16H,1,10,12H2,2-4H3,(H,23,25)(H,24,26)
InChIKeyXSDQDXQWVJNLKJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.08
Rot. Bonds6

About N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide

N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide (PubChem CID 50959115) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
PubChem CID50959115
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESC=C(C)COc1ccccc1C1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21
InChIInChI=1S/C22H24N2O4/c1-13(2)12-28-20-8-6-5-7-15(20)16-10-22(26)24-18-11-19(23-14(3)25)21(27-4)9-17(16)18/h5-9,11,16H,1,10,12H2,2-4H3,(H,23,25)(H,24,26)
InChIKeyXSDQDXQWVJNLKJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide with MolForge

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Related Compounds

methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568
N-[7-methoxy-4-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 171911142
N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 50976661
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122358
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The IUPAC name of N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide (CID 50959115) is N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide.
What is the SMILES notation for N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The canonical SMILES for N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide is C=C(C)COc1ccccc1C1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21.
What is the InChIKey of N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The InChIKey is XSDQDXQWVJNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(2)12-28-20-8-6-5-7-15(20)16-10-22(26)24-18-11-19(23-14(3)25)21(27-4)9-17(16)18/h5-9,11,16H,1,10,12H2,2-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide?
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide is sourced from PubChem (CID 50959115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).