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

C21H19NO2 — CID 11347669

IUPAC1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C21H19NO2/c23-20(11-8-15-5-2-1-3-6-15)16-9-10-19-18(13-16)14-17-7-4-12-24-21(17)22-19/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2
InChIKeyLQXZYHXSQNDGAX-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.38
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one (PubChem CID 11347669) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one
PubChem CID11347669
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C21H19NO2/c23-20(11-8-15-5-2-1-3-6-15)16-9-10-19-18(13-16)14-17-7-4-12-24-21(17)22-19/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2
InChIKeyLQXZYHXSQNDGAX-UHFFFAOYSA-N
XLogP4.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
Jnj16259685
CID 11313361
(3-Ethyl-2-methoxyquinolin-6-yl)(4-methoxycyclohexyl)methanone
CID 10245890
R214127
CID 10470232
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
2-Methoxyquinoline-3-carbaldehyde
CID 838868
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
2-benzyloxy-7,8-dihydro-6H-quinolin-5-one
CID 10444977
2-(4-Methoxyphenyl)quinoline-8-carboxamide
CID 25209058
2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
CID 899162
7-(cyclohexylethynyl)-2H-pyrano[2,3-b]pyridin-4(3H)-one
CID 53317121

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one (CID 11347669) is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc2nc3c(cc2c1)CCCO3.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one?
The InChIKey is LQXZYHXSQNDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-20(11-8-15-5-2-1-3-6-15)16-9-10-19-18(13-16)14-17-7-4-12-24-21(17)22-19/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one?
1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-3-phenylpropan-1-one has a molecular weight of 317.39 g/mol, XLogP of 4.38, 4 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)-3-phenylpropan-1-one is sourced from PubChem (CID 11347669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).