N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide

C19H23N3O3 — CID 113063202

IUPACN-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C19H23N3O3/c1-14(23)22(11-10-21-19(24)16-7-12-25-13-8-16)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,24)
InChIKeyVVMRPJMZXQCCDI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.13
Rot. Bonds5

About N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide (PubChem CID 113063202) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
PubChem CID113063202
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C19H23N3O3/c1-14(23)22(11-10-21-19(24)16-7-12-25-13-8-16)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,24)
InChIKeyVVMRPJMZXQCCDI-UHFFFAOYSA-N
XLogP2.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
CID 113064554
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
CID 113062144
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide (CID 113063202) is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide is CC(=O)N(CCNC(=O)C1CCOCC1)c1cccc2cccnc12.
What is the InChIKey of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide?
The InChIKey is VVMRPJMZXQCCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(23)22(11-10-21-19(24)16-7-12-25-13-8-16)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide?
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113063202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).