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

C22H20N2O3 — CID 7517345

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1
InChIInChI=1S/C22H20N2O3/c1-15-6-8-17(9-7-15)21(25)23-18-11-10-16-4-2-12-24(19(16)14-18)22(26)20-5-3-13-27-20/h3,5-11,13-14H,2,4,12H2,1H3,(H,23,25)
InChIKeySDCDNRWGVAPPEW-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.43
Rot. Bonds3

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

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide (PubChem CID 7517345) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
PubChem CID7517345
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1
InChIInChI=1S/C22H20N2O3/c1-15-6-8-17(9-7-15)21(25)23-18-11-10-16-4-2-12-24(19(16)14-18)22(26)20-5-3-13-27-20/h3,5-11,13-14H,2,4,12H2,1H3,(H,23,25)
InChIKeySDCDNRWGVAPPEW-UHFFFAOYSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-propan-2-yloxybenzamide
CID 7517282
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
CID 7517340
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]-2-methoxyacetamide
CID 7517324
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]-2-(3-methylphenoxy)acetamide
CID 7517353
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-pyrrol-1-ylbenzamide
CID 110303963
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-methyl-3-phenylbutanamide
CID 110303960
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-6-methoxy-1H-indole-2-carboxamide
CID 71806593

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide (CID 7517345) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide?
The InChIKey is SDCDNRWGVAPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-6-8-17(9-7-15)21(25)23-18-11-10-16-4-2-12-24(19(16)14-18)22(26)20-5-3-13-27-20/h3,5-11,13-14H,2,4,12H2,1H3,(H,23,25).
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 7517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).