6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one

C17H16F2N4OS — CID 23854047

IUPAC6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCN1CCN(c2c(F)cc3c(=O)ccn(-c4nccs4)c3c2F)CC1
InChIInChI=1S/C17H16F2N4OS/c1-21-5-7-22(8-6-21)16-12(18)10-11-13(24)2-4-23(15(11)14(16)19)17-20-3-9-25-17/h2-4,9-10H,5-8H2,1H3
InChIKeyWDZNGQITJNMRJU-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.48
Rot. Bonds2

About 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one

6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one (PubChem CID 23854047) has the molecular formula C17H16F2N4OS and a molecular weight of 362.41 g/mol. Its IUPAC name is 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one
PubChem CID23854047
Molecular FormulaC17H16F2N4OS
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCN1CCN(c2c(F)cc3c(=O)ccn(-c4nccs4)c3c2F)CC1
InChIInChI=1S/C17H16F2N4OS/c1-21-5-7-22(8-6-21)16-12(18)10-11-13(24)2-4-23(15(11)14(16)19)17-20-3-9-25-17/h2-4,9-10H,5-8H2,1H3
InChIKeyWDZNGQITJNMRJU-UHFFFAOYSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-2-[(S) 1-[(1-oxopropyl)-amino]-propyl]-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline carboxamide
CID 14140575
4-[3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperazine-1-carbaldehyde
CID 148879748
2-[4-[3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperazin-1-yl]acetonitrile
CID 162653334
2-[(S) 1-aminopropyl]-4-hydroxy-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline-carboxamide
CID 13578802
N'-{5-[4-(diethylamino)benzoyl]-1,3-thiazol-2-yl}-N,N-dimethyliminoformamide
CID 9638128
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 71614506
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-(4-prop-2-ynylpiperazin-1-yl)quinolin-4-one
CID 147704443
3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-[4-[(2E)-2-methoxyiminopropyl]piperazin-1-yl]quinolin-4-one
CID 155560114
7-(4-Acetylpiperazin-1-yl)-3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoroquinolin-4-one
CID 162668337
3-(2-Amino-1,3-thiazol-4-yl)-7-(4-butylpiperazin-1-yl)-1-ethyl-6-fluoroquinolin-4-one
CID 162670269
2-trifluoromethyl-4-hydroxy-N-(2-thiazolyl)-3-quinoline-carboxamide
CID 13381362
2-[(R) 1-aminoethyl]-4-hydroxy-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline carboxamide
CID 13578797

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one?
The IUPAC name of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one (CID 23854047) is 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one?
The canonical SMILES for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one is CN1CCN(c2c(F)cc3c(=O)ccn(-c4nccs4)c3c2F)CC1.
What is the InChIKey of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one?
The InChIKey is WDZNGQITJNMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4OS/c1-21-5-7-22(8-6-21)16-12(18)10-11-13(24)2-4-23(15(11)14(16)19)17-20-3-9-25-17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one?
6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one has a molecular weight of 362.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(1,3-thiazol-2-yl)quinolin-4-one is sourced from PubChem (CID 23854047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).