3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C24H17FN4OS — CID 137430210

IUPAC3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(Sc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H17FN4OS/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28)
InChIKeyNBKBYPJJECDDQQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.13
Rot. Bonds4

About 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 137430210) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
PubChem CID137430210
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC Name3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(Sc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H17FN4OS/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28)
InChIKeyNBKBYPJJECDDQQ-UHFFFAOYSA-N
XLogP6.13
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[(2-Amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone
CID 58448529
3-(4-Fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 137430207
2-N-[(4-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
CID 137430209
2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
CID 137430211
N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
CID 137430647
3-Amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 137430648
3-Fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 137431557
Ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfanylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate
CID 144347963
3-Amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 158004215
3-Amino-6-[4-[2-(4-fluorophenyl)-2-oxoethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 160127650
N-[4-(4-fluorophenyl)sulfonylphenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 9938212
6-[5-(aminomethyl)furan-2-yl]-N-[4-(benzenesulfonyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 21952034

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 137430210) is 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccc(-c2nc(N)c(Sc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is NBKBYPJJECDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4OS/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 428.49 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 137430210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).