N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide

C18H19F2N3O3 — CID 71888385

IUPACN-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C18H19F2N3O3/c19-18(20)26-14-8-7-13(12-5-4-9-21-17(12)14)22-15(24)11-23-10-3-1-2-6-16(23)25/h4-5,7-9,18H,1-3,6,10-11H2,(H,22,24)
InChIKeySQTRBBCYLPOAQP-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.18
Rot. Bonds5

About N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide

N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 71888385) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID71888385
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C18H19F2N3O3/c19-18(20)26-14-8-7-13(12-5-4-9-21-17(12)14)22-15(24)11-23-10-3-1-2-6-16(23)25/h4-5,7-9,18H,1-3,6,10-11H2,(H,22,24)
InChIKeySQTRBBCYLPOAQP-UHFFFAOYSA-N
XLogP3.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
N-(3-hydroxy-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47051578
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71985788
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
N-(2-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78891418
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide (CID 71888385) is N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)Nc1ccc(OC(F)F)c2ncccc12.
What is the InChIKey of N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is SQTRBBCYLPOAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c19-18(20)26-14-8-7-13(12-5-4-9-21-17(12)14)22-15(24)11-23-10-3-1-2-6-16(23)25/h4-5,7-9,18H,1-3,6,10-11H2,(H,22,24).
What are the key properties of N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide?
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 363.36 g/mol, XLogP of 3.18, 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-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 71888385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).