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

C22H23NO3 — CID 14422709

IUPAC3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C22H23NO3/c1-14(2)19-13-26-21-10-9-17(11-18(21)22(19)24)25-12-16-8-7-15-5-3-4-6-20(15)23-16/h3-11,14,19,22,24H,12-13H2,1-2H3
InChIKeyQGLZAKSZHRRJJU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.51
Rot. Bonds4

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

3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 14422709) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
PubChem CID14422709
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C22H23NO3/c1-14(2)19-13-26-21-10-9-17(11-18(21)22(19)24)25-12-16-8-7-15-5-3-4-6-20(15)23-16/h3-11,14,19,22,24H,12-13H2,1-2H3
InChIKeyQGLZAKSZHRRJJU-UHFFFAOYSA-N
XLogP4.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422695
(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
(3S,4R)-3-pyridin-3-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 18647516
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
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
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol (CID 14422709) is 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol is CC(C)C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1O.
What is the InChIKey of 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QGLZAKSZHRRJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-14(2)19-13-26-21-10-9-17(11-18(21)22(19)24)25-12-16-8-7-15-5-3-4-6-20(15)23-16/h3-11,14,19,22,24H,12-13H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol?
3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 349.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 14422709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).