7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one

C20H14FNO3 — CID 31905824

IUPAC7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccc(F)c4cccnc34)ccc12
InChIInChI=1S/C20H14FNO3/c1-12-9-19(23)25-18-10-14(5-6-15(12)18)24-11-13-4-7-17(21)16-3-2-8-22-20(13)16/h2-10H,11H2,1H3
InChIKeyKBSZVMARPINJCY-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.37
Rot. Bonds3

About 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one

7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one (PubChem CID 31905824) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
PubChem CID31905824
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccc(F)c4cccnc34)ccc12
InChIInChI=1S/C20H14FNO3/c1-12-9-19(23)25-18-10-14(5-6-15(12)18)24-11-13-4-7-17(21)16-3-2-8-22-20(13)16/h2-10H,11H2,1H3
InChIKeyKBSZVMARPINJCY-UHFFFAOYSA-N
XLogP4.37
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 38828676
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
CID 110889549
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
7-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-4-methylchromen-2-one
CID 26000081
7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
CID 47025690
7-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-4-methylchromen-2-one
CID 109413301
4-methyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 10063752
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one (CID 31905824) is 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCc3ccc(F)c4cccnc34)ccc12.
What is the InChIKey of 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one?
The InChIKey is KBSZVMARPINJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c1-12-9-19(23)25-18-10-14(5-6-15(12)18)24-11-13-4-7-17(21)16-3-2-8-22-20(13)16/h2-10H,11H2,1H3.
What are the key properties of 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one?
7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one has a molecular weight of 335.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 31905824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).