(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one

C22H18FN3O2S — CID 156580049

IUPAC(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one
SMILESCCCn1c(O)c(/C=C2/C=c3cc(F)ccc3=NC2=O)s/c1=N\c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c1-2-10-26-21(28)19(29-22(26)24-17-6-4-3-5-7-17)13-15-11-14-12-16(23)8-9-18(14)25-20(15)27/h3-9,11-13,28H,2,10H2,1H3/b15-13-,24-22-
InChIKeyJFQSYVVGNRMRGA-USHYEIKDSA-N
MW407.47 g/mol
LogP3.06
Rot. Bonds4

About (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one

(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one (PubChem CID 156580049) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one.

Molecular Properties

Compound Name(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one
PubChem CID156580049
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one
SMILESCCCn1c(O)c(/C=C2/C=c3cc(F)ccc3=NC2=O)s/c1=N\c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c1-2-10-26-21(28)19(29-22(26)24-17-6-4-3-5-7-17)13-15-11-14-12-16(23)8-9-18(14)25-20(15)27/h3-9,11-13,28H,2,10H2,1H3/b15-13-,24-22-
InChIKeyJFQSYVVGNRMRGA-USHYEIKDSA-N
XLogP3.06
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one?
The IUPAC name of (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one (CID 156580049) is (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one.
What is the SMILES notation for (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one?
The canonical SMILES for (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one is CCCn1c(O)c(/C=C2/C=c3cc(F)ccc3=NC2=O)s/c1=N\c1ccccc1.
What is the InChIKey of (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one?
The InChIKey is JFQSYVVGNRMRGA-USHYEIKDSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-2-10-26-21(28)19(29-22(26)24-17-6-4-3-5-7-17)13-15-11-14-12-16(23)8-9-18(14)25-20(15)27/h3-9,11-13,28H,2,10H2,1H3/b15-13-,24-22-.
What are the key properties of (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one?
(3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-fluoro-3-[(4-hydroxy-2-phenylimino-3-propyl-1,3-thiazol-5-yl)methylidene]quinolin-2-one is sourced from PubChem (CID 156580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).