N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide

C23H22N2O4 — CID 7517353

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1
InChIInChI=1S/C23H22N2O4/c1-16-5-2-7-19(13-16)29-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-28-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26)
InChIKeyXCTFZQKBPGHGAY-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.20
Rot. Bonds5

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 7517353) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
PubChem CID7517353
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1
InChIInChI=1S/C23H22N2O4/c1-16-5-2-7-19(13-16)29-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-28-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26)
InChIKeyXCTFZQKBPGHGAY-UHFFFAOYSA-N
XLogP4.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517427
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498760
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7687984
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-propan-2-yloxybenzamide
CID 7517282
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methylphenoxy)acetamide
CID 16943302
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-methyl-3-phenylbutanamide
CID 110303960

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide (CID 7517353) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is XCTFZQKBPGHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16-5-2-7-19(13-16)29-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-28-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26).
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 390.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 7517353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).