1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone

C19H24N2O3 — CID 166284147

IUPAC1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
SMILESCC(C)C1COCCN(C(=O)COc2cccc3cccnc23)C1
InChIInChI=1S/C19H24N2O3/c1-14(2)16-11-21(9-10-23-12-16)18(22)13-24-17-7-3-5-15-6-4-8-20-19(15)17/h3-8,14,16H,9-13H2,1-2H3
InChIKeyYDIFNVPQOKEOLH-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.74
Rot. Bonds4

About 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone

1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone (PubChem CID 166284147) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
PubChem CID166284147
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
SMILESCC(C)C1COCCN(C(=O)COc2cccc3cccnc23)C1
InChIInChI=1S/C19H24N2O3/c1-14(2)16-11-21(9-10-23-12-16)18(22)13-24-17-7-3-5-15-6-4-8-20-19(15)17/h3-8,14,16H,9-13H2,1-2H3
InChIKeyYDIFNVPQOKEOLH-UHFFFAOYSA-N
XLogP2.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5303366
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-quinolin-8-yloxyacetate
CID 6950984
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
CID 25380946

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone (CID 166284147) is 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone is CC(C)C1COCCN(C(=O)COc2cccc3cccnc23)C1.
What is the InChIKey of 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone?
The InChIKey is YDIFNVPQOKEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)16-11-21(9-10-23-12-16)18(22)13-24-17-7-3-5-15-6-4-8-20-19(15)17/h3-8,14,16H,9-13H2,1-2H3.
What are the key properties of 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone?
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone has a molecular weight of 328.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 166284147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).