10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one

C19H14FNO2S — CID 158249277

IUPAC10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one
SMILESCCCOc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H14FNO2S/c1-2-9-23-19-18-16(12-5-3-4-6-14(12)21-19)17(22)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3
InChIKeyRHMZZYVZHLTCHP-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.89
Rot. Bonds3

About 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one

10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one (PubChem CID 158249277) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one
PubChem CID158249277
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one
SMILESCCCOc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H14FNO2S/c1-2-9-23-19-18-16(12-5-3-4-6-14(12)21-19)17(22)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3
InChIKeyRHMZZYVZHLTCHP-UHFFFAOYSA-N
XLogP4.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
CID 146501121
bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one
CID 159211063
7-fluoro-9-oxothioxanthene-4-carboxylic acid
CID 22917224
6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one
CID 139572274
6-(butylamino)-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one;6-[3-(propylamino)propylamino]-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one
CID 165035189
4-butoxy-1-fluorothioxanthen-9-one;ethane
CID 144535192
1-(4-benzylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one
CID 175824561
2-chloro-4-propoxyquinazoline
CID 62477512
6-(butylamino)-8-fluorothiochromeno[2,3-c]quinolin-12-one
CID 161026331
10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 90646534
6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
CID 139572456
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one (CID 158249277) is 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one is CCCOc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.
What is the InChIKey of 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one?
The InChIKey is RHMZZYVZHLTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c1-2-9-23-19-18-16(12-5-3-4-6-14(12)21-19)17(22)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3.
What are the key properties of 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one?
10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one has a molecular weight of 339.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 158249277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).