2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide

C19H24N4O2 — CID 122142659

IUPAC2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(CN1CCCCCC1=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H24N4O2/c24-18(14-23-13-5-1-2-8-19(23)25)21-12-11-20-17-10-9-15-6-3-4-7-16(15)22-17/h3-4,6-7,9-10H,1-2,5,8,11-14H2,(H,20,22)(H,21,24)
InChIKeyXHWQJUZNDFGAGW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.17
Rot. Bonds6

About 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide

2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide (PubChem CID 122142659) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
PubChem CID122142659
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(CN1CCCCCC1=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H24N4O2/c24-18(14-23-13-5-1-2-8-19(23)25)21-12-11-20-17-10-9-15-6-3-4-7-16(15)22-17/h3-4,6-7,9-10H,1-2,5,8,11-14H2,(H,20,22)(H,21,24)
InChIKeyXHWQJUZNDFGAGW-UHFFFAOYSA-N
XLogP2.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
N-(2-naphthalen-1-ylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865136
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 32856449
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide (CID 122142659) is 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide is O=C(CN1CCCCCC1=O)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The InChIKey is XHWQJUZNDFGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(14-23-13-5-1-2-8-19(23)25)21-12-11-20-17-10-9-15-6-3-4-7-16(15)22-17/h3-4,6-7,9-10H,1-2,5,8,11-14H2,(H,20,22)(H,21,24).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 122142659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).