(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H23NO4 — CID 2929726

IUPAC(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3CCC2C)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-13-9-10-14-7-5-6-8-16(14)21(13)20(22)15-11-17(23-2)19(25-4)18(12-15)24-3/h5-8,11-13H,9-10H2,1-4H3
InChIKeyHXWNBCBFXGJRCU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.69
Rot. Bonds4

About (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 2929726) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID2929726
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3CCC2C)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-13-9-10-14-7-5-6-8-16(14)21(13)20(22)15-11-17(23-2)19(25-4)18(12-15)24-3/h5-8,11-13H,9-10H2,1-4H3
InChIKeyHXWNBCBFXGJRCU-UHFFFAOYSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 2929726) is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2c3ccccc3CCC2C)cc(OC)c1OC.
What is the InChIKey of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HXWNBCBFXGJRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-9-10-14-7-5-6-8-16(14)21(13)20(22)15-11-17(23-2)19(25-4)18(12-15)24-3/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 2929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).