9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid

C20H21N3O4 — CID 118865361

IUPAC9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid
SMILESCCNCc1cc2cc3c(cc2n1C)CCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C20H21N3O4/c1-3-21-9-12-6-11-7-14-10(8-15(11)23(12)2)4-5-13-17(14)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyDMNYTEVJFAIGHD-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.15
Rot. Bonds4

About 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid

9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid (PubChem CID 118865361) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid
PubChem CID118865361
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid
SMILESCCNCc1cc2cc3c(cc2n1C)CCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C20H21N3O4/c1-3-21-9-12-6-11-7-14-10(8-15(11)23(12)2)4-5-13-17(14)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyDMNYTEVJFAIGHD-UHFFFAOYSA-N
XLogP2.15
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid?
The IUPAC name of 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid (CID 118865361) is 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid.
What is the SMILES notation for 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid?
The canonical SMILES for 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid is CCNCc1cc2cc3c(cc2n1C)CCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid?
The InChIKey is DMNYTEVJFAIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-21-9-12-6-11-7-14-10(8-15(11)23(12)2)4-5-13-17(14)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25).
What are the key properties of 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid?
9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid is sourced from PubChem (CID 118865361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).