(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone

C16H16N2O — CID 619716

IUPAC(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
SMILESCc1nc2c(nc1C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C16H16N2O/c1-11-15(16(19)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyUSFFPACTKZNNCN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds2

About (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone

(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone (PubChem CID 619716) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
PubChem CID619716
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
SMILESCc1nc2c(nc1C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C16H16N2O/c1-11-15(16(19)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyUSFFPACTKZNNCN-UHFFFAOYSA-N
XLogP2.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone (CID 619716) is (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone is Cc1nc2c(nc1C(=O)c1ccccc1)CCCC2.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone?
The InChIKey is USFFPACTKZNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-15(16(19)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone?
(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone has a molecular weight of 252.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone is sourced from PubChem (CID 619716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).