N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide

C23H22N2O5 — CID 7498597

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-19-8-3-7-17(21(19)29-2)22(26)24-16-10-11-18-15(14-16)6-4-12-25(18)23(27)20-9-5-13-30-20/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,24,26)
InChIKeyINGVRYOWLVWJHL-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide (PubChem CID 7498597) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
PubChem CID7498597
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-19-8-3-7-17(21(19)29-2)22(26)24-16-10-11-18-15(14-16)6-4-12-25(18)23(27)20-9-5-13-30-20/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,24,26)
InChIKeyINGVRYOWLVWJHL-UHFFFAOYSA-N
XLogP4.14
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 16766254
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
CID 171347084
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517455
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
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]-4-propan-2-yloxybenzamide
CID 7517282
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide (CID 7498597) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1OC.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide?
The InChIKey is INGVRYOWLVWJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-19-8-3-7-17(21(19)29-2)22(26)24-16-10-11-18-15(14-16)6-4-12-25(18)23(27)20-9-5-13-30-20/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide has a molecular weight of 406.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 7498597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).