6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one

C19H20N2O2 — CID 66716822

IUPAC6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN3CCCc4ccccc43)cc2NC1=O
InChIInChI=1S/C19H20N2O2/c1-13-19(22)20-16-11-14(8-9-18(16)23-13)12-21-10-4-6-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,20,22)
InChIKeyITQLNHYLSQSRDL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds2

About 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one

6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 66716822) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID66716822
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN3CCCc4ccccc43)cc2NC1=O
InChIInChI=1S/C19H20N2O2/c1-13-19(22)20-16-11-14(8-9-18(16)23-13)12-21-10-4-6-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,20,22)
InChIKeyITQLNHYLSQSRDL-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 66716822) is 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(CN3CCCc4ccccc43)cc2NC1=O.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is ITQLNHYLSQSRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-19(22)20-16-11-14(8-9-18(16)23-13)12-21-10-4-6-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,20,22).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 308.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66716822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).