(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one

C17H20N2O — CID 143393389

IUPAC(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one
SMILESC/C=C\C=c1\c(CCN)cc2cc[nH]c(=O)c2\c1=C\C
InChIInChI=1S/C17H20N2O/c1-3-5-6-15-12(7-9-18)11-13-8-10-19-17(20)16(13)14(15)4-2/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20)/b5-3-,14-4+,15-6-
InChIKeyXWUZKGRQGONMLY-CUDVTJMUSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds3

About (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one

(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one (PubChem CID 143393389) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one.

Molecular Properties

Compound Name(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one
PubChem CID143393389
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one
SMILESC/C=C\C=c1\c(CCN)cc2cc[nH]c(=O)c2\c1=C\C
InChIInChI=1S/C17H20N2O/c1-3-5-6-15-12(7-9-18)11-13-8-10-19-17(20)16(13)14(15)4-2/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20)/b5-3-,14-4+,15-6-
InChIKeyXWUZKGRQGONMLY-CUDVTJMUSA-N
XLogP1.19
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-(2-aminoethyl)-9-(3,4,5-tribromo-1H-pyrrol-2-yl)-2H-benzo[h]isoquinolin-1-one
CID 57455485
2-(6-fluoro-1H-indol-5-yl)ethanamine
CID 82410055
2-(6-bromo-1H-indol-5-yl)ethanamine
CID 82388495
6-(aziridin-1-ylmethyl)-9-bromo-2H-benzo[h]isoquinolin-1-one
CID 57455474
8-amino-6-methyl-2H-2,7-naphthyridin-1-one;ethane
CID 143841168
6-bromo-7,8-difluoro-2H-isoquinolin-1-one
CID 169118375
6-[(2S)-butan-2-yl]-8-fluoro-2H-isoquinolin-1-one
CID 118146386
6-methyl-2H-benzo[h]isoquinolin-1-one
CID 10465683
6,8-dibromo-2H-isoquinolin-1-one
CID 146049016
9-bromo-6-(hydroxymethyl)-2H-benzo[h]isoquinolin-1-one
CID 15982236
3-[(Z)-prop-1-enyl]-7H-1,7-naphthyridin-8-one
CID 70291895
2-(9-bromo-1-oxo-2H-benzo[h]isoquinolin-6-yl)acetic acid
CID 15982886

Frequently Asked Questions

What is the IUPAC name of (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one?
The IUPAC name of (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one (CID 143393389) is (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one.
What is the SMILES notation for (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one?
The canonical SMILES for (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one is C/C=C\C=c1\c(CCN)cc2cc[nH]c(=O)c2\c1=C\C.
What is the InChIKey of (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one?
The InChIKey is XWUZKGRQGONMLY-CUDVTJMUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-5-6-15-12(7-9-18)11-13-8-10-19-17(20)16(13)14(15)4-2/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20)/b5-3-,14-4+,15-6-.
What are the key properties of (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one?
(7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one has a molecular weight of 268.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,8E)-6-(2-aminoethyl)-7-[(Z)-but-2-enylidene]-8-ethylidene-2H-isoquinolin-1-one is sourced from PubChem (CID 143393389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).