(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone

C16H17NO2 — CID 1245713

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccoc1C
InChIInChI=1S/C16H17NO2/c1-11-5-6-15-13(10-11)4-3-8-17(15)16(18)14-7-9-19-12(14)2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVAHHSGYGKOSGNA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.49
Rot. Bonds1

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 1245713) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID1245713
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccoc1C
InChIInChI=1S/C16H17NO2/c1-11-5-6-15-13(10-11)4-3-8-17(15)16(18)14-7-9-19-12(14)2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVAHHSGYGKOSGNA-UHFFFAOYSA-N
XLogP3.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone (CID 1245713) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccoc1C.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is VAHHSGYGKOSGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-6-15-13(10-11)4-3-8-17(15)16(18)14-7-9-19-12(14)2/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 1245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).