7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C17H19FN4OS — CID 56816602

IUPAC7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)CC1
InChIInChI=1S/C17H19FN4OS/c1-21-4-6-22(7-5-21)17-20-15(10-24-17)12-8-11-2-3-16(23)19-14(11)9-13(12)18/h8-10H,2-7H2,1H3,(H,19,23)
InChIKeyIJCQTPYWUCFSLW-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.59
Rot. Bonds2

About 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 56816602) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID56816602
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)CC1
InChIInChI=1S/C17H19FN4OS/c1-21-4-6-22(7-5-21)17-20-15(10-24-17)12-8-11-2-3-16(23)19-14(11)9-13(12)18/h8-10H,2-7H2,1H3,(H,19,23)
InChIKeyIJCQTPYWUCFSLW-UHFFFAOYSA-N
XLogP2.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 56816602) is 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CN1CCN(c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)CC1.
What is the InChIKey of 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IJCQTPYWUCFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-21-4-6-22(7-5-21)17-20-15(10-24-17)12-8-11-2-3-16(23)19-14(11)9-13(12)18/h8-10H,2-7H2,1H3,(H,19,23).
What are the key properties of 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 56816602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).