N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide

C16H16F2N2O3 — CID 99842569

IUPACN-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-13-6-5-12(11-4-1-7-19-15(11)13)20-14(21)9-10-3-2-8-22-10/h1,4-7,10,16H,2-3,8-9H2,(H,20,21)/t10-/m1/s1
InChIKeySHYRLZZYVYKPCF-SNVBAGLBSA-N
MW322.31 g/mol
LogP3.34
Rot. Bonds5

About N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide

N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 99842569) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID99842569
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-13-6-5-12(11-4-1-7-19-15(11)13)20-14(21)9-10-3-2-8-22-10/h1,4-7,10,16H,2-3,8-9H2,(H,20,21)/t10-/m1/s1
InChIKeySHYRLZZYVYKPCF-SNVBAGLBSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385
N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
CID 135373578
3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
CID 115897768
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 60549695
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide (CID 99842569) is N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide is O=C(C[C@H]1CCCO1)Nc1ccc(OC(F)F)c2ncccc12.
What is the InChIKey of N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is SHYRLZZYVYKPCF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-16(18)23-13-6-5-12(11-4-1-7-19-15(11)13)20-14(21)9-10-3-2-8-22-10/h1,4-7,10,16H,2-3,8-9H2,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 322.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 99842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).