4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C21H16N4O3S — CID 3207404

IUPAC4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CC(=O)Nc5ccccc54)sc3nc2c1
InChIInChI=1S/C21H16N4O3S/c1-28-12-7-6-11-8-13-18(22)19(29-20(13)24-15(11)9-12)21(27)25-10-17(26)23-14-4-2-3-5-16(14)25/h2-9H,10,22H2,1H3,(H,23,26)
InChIKeyPFYMBZVSCXKZGN-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.64
Rot. Bonds2

About 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 3207404) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID3207404
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CC(=O)Nc5ccccc54)sc3nc2c1
InChIInChI=1S/C21H16N4O3S/c1-28-12-7-6-11-8-13-18(22)19(29-20(13)24-15(11)9-12)21(27)25-10-17(26)23-14-4-2-3-5-16(14)25/h2-9H,10,22H2,1H3,(H,23,26)
InChIKeyPFYMBZVSCXKZGN-UHFFFAOYSA-N
XLogP3.64
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1374535
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 75415390
4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2441284
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 80617607
4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 4817791
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 3207404) is 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one is COc1ccc2cc3c(N)c(C(=O)N4CC(=O)Nc5ccccc54)sc3nc2c1.
What is the InChIKey of 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is PFYMBZVSCXKZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-28-12-7-6-11-8-13-18(22)19(29-20(13)24-15(11)9-12)21(27)25-10-17(26)23-14-4-2-3-5-16(14)25/h2-9H,10,22H2,1H3,(H,23,26).
What are the key properties of 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 404.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3207404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).