N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide

C20H17FN2OS — CID 51307065

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C20H17FN2OS/c21-15-6-7-18-16(12-15)17(8-10-25-18)23-19(24)11-14-4-1-3-13-5-2-9-22-20(13)14/h1-7,9,12,17H,8,10-11H2,(H,23,24)
InChIKeyPCSWSKSFPGDUDP-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.27
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide (PubChem CID 51307065) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
PubChem CID51307065
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C20H17FN2OS/c21-15-6-7-18-16(12-15)17(8-10-25-18)23-19(24)11-14-4-1-3-13-5-2-9-22-20(13)14/h1-7,9,12,17H,8,10-11H2,(H,23,24)
InChIKeyPCSWSKSFPGDUDP-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 51077202
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348
2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
CID 60678283
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide (CID 51307065) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide?
The InChIKey is PCSWSKSFPGDUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-15-6-7-18-16(12-15)17(8-10-25-18)23-19(24)11-14-4-1-3-13-5-2-9-22-20(13)14/h1-7,9,12,17H,8,10-11H2,(H,23,24).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide has a molecular weight of 352.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).