3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol

C22H23NO4 — CID 14422695

IUPAC3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)OC1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C22H23NO4/c1-14(2)27-21-13-26-20-10-9-17(11-18(20)22(21)24)25-12-16-8-7-15-5-3-4-6-19(15)23-16/h3-11,14,21-22,24H,12-13H2,1-2H3
InChIKeyQCAAJZCXGPAAGR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.03
Rot. Bonds5

About 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol

3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 14422695) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
PubChem CID14422695
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)OC1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C22H23NO4/c1-14(2)27-21-13-26-20-10-9-17(11-18(20)22(21)24)25-12-16-8-7-15-5-3-4-6-19(15)23-16/h3-11,14,21-22,24H,12-13H2,1-2H3
InChIKeyQCAAJZCXGPAAGR-UHFFFAOYSA-N
XLogP4.03
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422709
(3S,4R)-3-pyridin-3-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 18647516
(3S,4R)-3-(pyridin-2-ylmethyl)-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 57036302
(3R,4S)-3-(pyridin-4-ylmethyl)-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 67612915
3-[(3,4-dimethoxyphenyl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 19600796
4-[[(3S,4R)-4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid
CID 18647551
5-[[4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methoxybenzoic acid
CID 19600732
methyl 5-[[(3R,4R)-4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methoxybenzoate
CID 67591695
[(3S,4R)-3-(4-methoxyphenoxy)-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate;dihydrochloride
CID 67592418
(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
CID 67591829
3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol
CID 19600655
(3R,4S)-6-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67591819

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol (CID 14422695) is 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol is CC(C)OC1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O.
What is the InChIKey of 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QCAAJZCXGPAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(2)27-21-13-26-20-10-9-17(11-18(20)22(21)24)25-12-16-8-7-15-5-3-4-6-19(15)23-16/h3-11,14,21-22,24H,12-13H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 365.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 14422695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).