N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide

C23H28N2O4 — CID 78891688

IUPACN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-4-14-28-19-8-5-17(6-9-19)23(27)24-13-15-29-20-10-11-21-18(16-20)7-12-22(26)25-21/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBKYUKSNCDAASNX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.95
Rot. Bonds10

About N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide (PubChem CID 78891688) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
PubChem CID78891688
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-4-14-28-19-8-5-17(6-9-19)23(27)24-13-15-29-20-10-11-21-18(16-20)7-12-22(26)25-21/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBKYUKSNCDAASNX-UHFFFAOYSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.95
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

6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111057766
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111057765
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide (CID 78891688) is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide?
The InChIKey is BKYUKSNCDAASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-3-4-14-28-19-8-5-17(6-9-19)23(27)24-13-15-29-20-10-11-21-18(16-20)7-12-22(26)25-21/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide?
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide is sourced from PubChem (CID 78891688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).