3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone

C22H21NO2 — CID 11461691

IUPAC3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone
SMILESCCc1cc2cc(C(=O)C3COc4ccccc4C3)ccc2nc1C
InChIInChI=1S/C22H21NO2/c1-3-15-10-18-12-17(8-9-20(18)23-14(15)2)22(24)19-11-16-6-4-5-7-21(16)25-13-19/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyDDFLNOQHBHICMN-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.54
Rot. Bonds3

About 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone (PubChem CID 11461691) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone
PubChem CID11461691
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone
SMILESCCc1cc2cc(C(=O)C3COc4ccccc4C3)ccc2nc1C
InChIInChI=1S/C22H21NO2/c1-3-15-10-18-12-17(8-9-20(18)23-14(15)2)22(24)19-11-16-6-4-5-7-21(16)25-13-19/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyDDFLNOQHBHICMN-UHFFFAOYSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone (CID 11461691) is 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone is CCc1cc2cc(C(=O)C3COc4ccccc4C3)ccc2nc1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone?
The InChIKey is DDFLNOQHBHICMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-15-10-18-12-17(8-9-20(18)23-14(15)2)22(24)19-11-16-6-4-5-7-21(16)25-13-19/h4-10,12,19H,3,11,13H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(3-ethyl-2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 11461691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).