cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone

C16H17NO2 — CID 59393071

IUPACcyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
SMILESCCc1cc2ccc(C(=O)C3CC3)cc2nc1OC
InChIInChI=1S/C16H17NO2/c1-3-10-8-12-6-7-13(15(18)11-4-5-11)9-14(12)17-16(10)19-2/h6-9,11H,3-5H2,1-2H3
InChIKeyPTYDAMLSEMUIML-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.40
Rot. Bonds4

About cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone

cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone (PubChem CID 59393071) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
PubChem CID59393071
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namecyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
SMILESCCc1cc2ccc(C(=O)C3CC3)cc2nc1OC
InChIInChI=1S/C16H17NO2/c1-3-10-8-12-6-7-13(15(18)11-4-5-11)9-14(12)17-16(10)19-2/h6-9,11H,3-5H2,1-2H3
InChIKeyPTYDAMLSEMUIML-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone?
The IUPAC name of cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone (CID 59393071) is cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone?
The canonical SMILES for cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone is CCc1cc2ccc(C(=O)C3CC3)cc2nc1OC.
What is the InChIKey of cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone?
The InChIKey is PTYDAMLSEMUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-10-8-12-6-7-13(15(18)11-4-5-11)9-14(12)17-16(10)19-2/h6-9,11H,3-5H2,1-2H3.
What are the key properties of cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone?
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone is sourced from PubChem (CID 59393071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).