1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone

C20H16FNO2 — CID 10064670

IUPAC1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C20H16FNO2/c21-17-6-3-13(4-7-17)10-19(23)14-5-8-18-16(11-14)12-15-2-1-9-24-20(15)22-18/h3-8,11-12H,1-2,9-10H2
InChIKeyMPYOLCUPCPGRJW-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.12
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone

1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 10064670) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone
PubChem CID10064670
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C20H16FNO2/c21-17-6-3-13(4-7-17)10-19(23)14-5-8-18-16(11-14)12-15-2-1-9-24-20(15)22-18/h3-8,11-12H,1-2,9-10H2
InChIKeyMPYOLCUPCPGRJW-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj16259685
CID 11313361
(3-Ethyl-2-methoxyquinolin-6-yl)(4-methoxycyclohexyl)methanone
CID 10245890
R214127
CID 10470232
12-Amino-2-phenylpyrano[2,3-a]acridin-4-one
CID 385046
2-benzyloxy-7,8-dihydro-6H-quinolin-5-one
CID 10444977
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-thiophen-3-yl-ethanone
CID 11185961
2-(3-Hexanoylphenoxymethyl)quinoline
CID 13560729
6-Fluoro-3-methyl-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 13960632
6-Fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 53357599
2-[4-(2-Ethoxyphenyl)phenyl]-6-fluoro-3-methylquinoline-4-carboxamide
CID 69569103
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
CID 77105011

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone (CID 10064670) is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc2nc3c(cc2c1)CCCO3.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is MPYOLCUPCPGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-17-6-3-13(4-7-17)10-19(23)14-5-8-18-16(11-14)12-15-2-1-9-24-20(15)22-18/h3-8,11-12H,1-2,9-10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone?
1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 321.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10064670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).