3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one

C20H21FN4O3 — CID 161436075

IUPAC3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one
SMILESCOc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(C)=O)c[nH]c12
InChIInChI=1S/C20H21FN4O3/c1-11(26)13-10-25-17-14(19(13)27)16(22)15(21)18(20(17)28-2)24-9-5-7-12-6-3-4-8-23-12/h3-4,6,8,10,24H,5,7,9,22H2,1-2H3,(H,25,27)
InChIKeyMEQQXPLYTFIZHH-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.90
Rot. Bonds7

About 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one

3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one (PubChem CID 161436075) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one
PubChem CID161436075
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one
SMILESCOc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(C)=O)c[nH]c12
InChIInChI=1S/C20H21FN4O3/c1-11(26)13-10-25-17-14(19(13)27)16(22)15(21)18(20(17)28-2)24-9-5-7-12-6-3-4-8-23-12/h3-4,6,8,10,24H,5,7,9,22H2,1-2H3,(H,25,27)
InChIKeyMEQQXPLYTFIZHH-UHFFFAOYSA-N
XLogP2.90
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
CID 161190568
3-acetyl-5-amino-1-cyclopropyl-6-fluoro-8-methoxy-2-methyl-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 161436079
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
CID 25253983
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-12,1'-cyclobutane]-3-carboxylic acid
CID 58134707
5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 159583302
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 159028882
methyl 2,3-difluoro-4-(2-pyridin-2-ylethylamino)benzoate
CID 79834307
[1-(6-amino-3-carboxy-2-methoxyphenyl)-3-pyridin-2-ylpropylidene]azanium
CID 142835883
methyl 3-fluoro-6-methyl-2-(4-pyridin-2-ylbutanoylamino)benzoate
CID 75421382
bis(3-pyridin-2-ylpropyl) benzene-1,4-dicarboxylate
CID 71416852
5-amino-1-cyclopentyl-6-fluoro-8-methoxy-7-[2-(pyridin-2-ylamino)ethylamino]quinolin-4-one
CID 59002903
3-acetyl-5-amino-6,8-difluoro-7-[2-(4-fluorophenyl)ethylamino]-1-propan-2-ylquinolin-4-one
CID 70670413

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one (CID 161436075) is 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one is COc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(C)=O)c[nH]c12.
What is the InChIKey of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one?
The InChIKey is MEQQXPLYTFIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11(26)13-10-25-17-14(19(13)27)16(22)15(21)18(20(17)28-2)24-9-5-7-12-6-3-4-8-23-12/h3-4,6,8,10,24H,5,7,9,22H2,1-2H3,(H,25,27).
What are the key properties of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one?
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one has a molecular weight of 384.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one is sourced from PubChem (CID 161436075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).