N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide

C21H20N2O4 — CID 110331408

IUPACN-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-23(16-5-3-2-4-6-16)20(24)8-7-14-11-15-12-18-19(27-10-9-26-18)13-17(15)22-21(14)25/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChIKeyHQJHCVKYLSCOTF-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide

N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide (PubChem CID 110331408) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
PubChem CID110331408
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-23(16-5-3-2-4-6-16)20(24)8-7-14-11-15-12-18-19(27-10-9-26-18)13-17(15)22-21(14)25/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChIKeyHQJHCVKYLSCOTF-UHFFFAOYSA-N
XLogP2.89
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-phenylpropanamide
CID 110331251
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375
3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1467384
N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331364
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426
1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 110325097
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-4-phenoxybutanamide
CID 110325095
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110331632
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide?
The IUPAC name of N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide (CID 110331408) is N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide is CN(C(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1.
What is the InChIKey of N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide?
The InChIKey is HQJHCVKYLSCOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23(16-5-3-2-4-6-16)20(24)8-7-14-11-15-12-18-19(27-10-9-26-18)13-17(15)22-21(14)25/h2-6,11-13H,7-10H2,1H3,(H,22,25).
What are the key properties of N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide?
N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide has a molecular weight of 364.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide is sourced from PubChem (CID 110331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).