[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol

C14H14ClFN2OS — CID 126821416

IUPAC[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESOCC1Cc2cccc(F)c2N(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C14H14ClFN2OS/c15-12-5-17-13(20-12)7-18-6-9(8-19)4-10-2-1-3-11(16)14(10)18/h1-3,5,9,19H,4,6-8H2
InChIKeyRYNPKGGCZHNDPX-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.11
Rot. Bonds3

About [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol

[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol (PubChem CID 126821416) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol
PubChem CID126821416
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC Name[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESOCC1Cc2cccc(F)c2N(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C14H14ClFN2OS/c15-12-5-17-13(20-12)7-18-6-9(8-19)4-10-2-1-3-11(16)14(10)18/h1-3,5,9,19H,4,6-8H2
InChIKeyRYNPKGGCZHNDPX-UHFFFAOYSA-N
XLogP3.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol?
The IUPAC name of [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol (CID 126821416) is [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol?
The canonical SMILES for [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol is OCC1Cc2cccc(F)c2N(Cc2ncc(Cl)s2)C1.
What is the InChIKey of [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol?
The InChIKey is RYNPKGGCZHNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c15-12-5-17-13(20-12)7-18-6-9(8-19)4-10-2-1-3-11(16)14(10)18/h1-3,5,9,19H,4,6-8H2.
What are the key properties of [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol?
[1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol has a molecular weight of 312.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1,3-thiazol-2-yl)methyl]-8-fluoro-3,4-dihydro-2H-quinolin-3-yl]methanol is sourced from PubChem (CID 126821416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).