(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one

C15H12ClNO3 — CID 177428243

IUPAC(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one
SMILESCC(C)(O)/C(Cl)=C1/OC(=O)c2cc3ccccc3nc21
InChIInChI=1S/C15H12ClNO3/c1-15(2,19)13(16)12-11-9(14(18)20-12)7-8-5-3-4-6-10(8)17-11/h3-7,19H,1-2H3/b13-12-
InChIKeyLITFJUUEDGDEFS-SEYXRHQNSA-N
MW289.72 g/mol
LogP3.08
Rot. Bonds1

About (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one

(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one (PubChem CID 177428243) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one
PubChem CID177428243
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one
SMILESCC(C)(O)/C(Cl)=C1/OC(=O)c2cc3ccccc3nc21
InChIInChI=1S/C15H12ClNO3/c1-15(2,19)13(16)12-11-9(14(18)20-12)7-8-5-3-4-6-10(8)17-11/h3-7,19H,1-2H3/b13-12-
InChIKeyLITFJUUEDGDEFS-SEYXRHQNSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one?
The IUPAC name of (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one (CID 177428243) is (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one.
What is the SMILES notation for (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one?
The canonical SMILES for (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one is CC(C)(O)/C(Cl)=C1/OC(=O)c2cc3ccccc3nc21.
What is the InChIKey of (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one?
The InChIKey is LITFJUUEDGDEFS-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-15(2,19)13(16)12-11-9(14(18)20-12)7-8-5-3-4-6-10(8)17-11/h3-7,19H,1-2H3/b13-12-.
What are the key properties of (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one?
(3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one has a molecular weight of 289.72 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-chloro-2-hydroxy-2-methylpropylidene)furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 177428243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).