(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone

C18H25NO2 — CID 167991950

IUPAC(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
SMILESCCOc1ccc2c(c1)CN(C(=O)C1(CC)CCC1)CC2
InChIInChI=1S/C18H25NO2/c1-3-18(9-5-10-18)17(20)19-11-8-14-6-7-16(21-4-2)12-15(14)13-19/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyQBZJBLHQYCFDPP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.55
Rot. Bonds4

About (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone

(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone (PubChem CID 167991950) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone.

Molecular Properties

Compound Name(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
PubChem CID167991950
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
SMILESCCOc1ccc2c(c1)CN(C(=O)C1(CC)CCC1)CC2
InChIInChI=1S/C18H25NO2/c1-3-18(9-5-10-18)17(20)19-11-8-14-6-7-16(21-4-2)12-15(14)13-19/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyQBZJBLHQYCFDPP-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
7-ethoxy-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869738
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733
7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869103
N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86870043
1-[(3S)-3-hydroxy-3-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 129486694
7-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94804289
2-[2-(4-ethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294085
N-[3-(difluoromethoxy)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869916
7-ethoxy-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869854
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120618683
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133

Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone?
The IUPAC name of (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone (CID 167991950) is (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone.
What is the SMILES notation for (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone?
The canonical SMILES for (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone is CCOc1ccc2c(c1)CN(C(=O)C1(CC)CCC1)CC2.
What is the InChIKey of (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone?
The InChIKey is QBZJBLHQYCFDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-18(9-5-10-18)17(20)19-11-8-14-6-7-16(21-4-2)12-15(14)13-19/h6-7,12H,3-5,8-11,13H2,1-2H3.
What are the key properties of (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone?
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone has a molecular weight of 287.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone is sourced from PubChem (CID 167991950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).