1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one

C18H25NO — CID 91103830

IUPAC1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one
SMILESC=C(C)N1Cc2cc(C)c(CC)cc2CC1C(=O)CC
InChIInChI=1S/C18H25NO/c1-6-14-9-15-10-17(18(20)7-2)19(12(3)4)11-16(15)8-13(14)5/h8-9,17H,3,6-7,10-11H2,1-2,4-5H3
InChIKeyYQSZVPYHKHSHJC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.80
Rot. Bonds4

About 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one

1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one (PubChem CID 91103830) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one
PubChem CID91103830
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one
SMILESC=C(C)N1Cc2cc(C)c(CC)cc2CC1C(=O)CC
InChIInChI=1S/C18H25NO/c1-6-14-9-15-10-17(18(20)7-2)19(12(3)4)11-16(15)8-13(14)5/h8-9,17H,3,6-7,10-11H2,1-2,4-5H3
InChIKeyYQSZVPYHKHSHJC-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one with MolForge

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Related Compounds

2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
CID 90977807
5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
CID 142804209
ethane;1-[9-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-10-methyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol;propane
CID 145135902
5,6-dimethyl-2,3-dihydro-1H-inden-2-ol
CID 86145079
(3S)-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-propanoyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 11854598
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
ethyl 7-ethoxy-3-methyl-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957294
ethyl 6-(ethylaminomethyl)-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957239
ethyl 3-ethyl-6-(ethylaminomethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957246
7-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 131874314
1-(1-prop-2-enoylazetidin-2-yl)propan-1-one
CID 171103693
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one?
The IUPAC name of 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one (CID 91103830) is 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one.
What is the SMILES notation for 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one?
The canonical SMILES for 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one is C=C(C)N1Cc2cc(C)c(CC)cc2CC1C(=O)CC.
What is the InChIKey of 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one?
The InChIKey is YQSZVPYHKHSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-14-9-15-10-17(18(20)7-2)19(12(3)4)11-16(15)8-13(14)5/h8-9,17H,3,6-7,10-11H2,1-2,4-5H3.
What are the key properties of 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one?
1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one is sourced from PubChem (CID 91103830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).