(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone

C21H20N2O2 — CID 2840413

IUPAC(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C21H20N2O2/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3
InChIKeyYGELMAGAUGHTDT-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.87
Rot. Bonds3

About (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone

(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone (PubChem CID 2840413) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
PubChem CID2840413
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C21H20N2O2/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3
InChIKeyYGELMAGAUGHTDT-UHFFFAOYSA-N
XLogP4.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone (CID 2840413) is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone is CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1.
What is the InChIKey of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone?
The InChIKey is YGELMAGAUGHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3.
What are the key properties of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone?
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 2840413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).