4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C12H16N2O4 — CID 82159726

IUPAC4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(OC)c2c(c1OC)NC(=O)CC2N
InChIInChI=1S/C12H16N2O4/c1-16-7-5-8(17-2)12(18-3)11-10(7)6(13)4-9(15)14-11/h5-6H,4,13H2,1-3H3,(H,14,15)
InChIKeyXEQFVVWXQDKNIB-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.05
Rot. Bonds3

About 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82159726) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID82159726
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(OC)c2c(c1OC)NC(=O)CC2N
InChIInChI=1S/C12H16N2O4/c1-16-7-5-8(17-2)12(18-3)11-10(7)6(13)4-9(15)14-11/h5-6H,4,13H2,1-3H3,(H,14,15)
InChIKeyXEQFVVWXQDKNIB-UHFFFAOYSA-N
XLogP1.05
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159265
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 102319529
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 82131742
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159343
3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587155
6,7,8-trimethoxy-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523615
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086
2,6-bis(3,4,5-trimethoxyphenyl)thian-4-one
CID 154121584

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 82159726) is 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc(OC)c2c(c1OC)NC(=O)CC2N.
What is the InChIKey of 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XEQFVVWXQDKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-16-7-5-8(17-2)12(18-3)11-10(7)6(13)4-9(15)14-11/h5-6H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 252.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82159726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).