N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide

C22H25N3O2 — CID 15840789

IUPACN-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide
SMILESO=C(NCCCCNCCOc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-22(18-8-2-1-3-9-18)25-14-5-4-13-23-16-17-27-21-12-6-11-20-19(21)10-7-15-24-20/h1-3,6-12,15,23H,4-5,13-14,16-17H2,(H,25,26)
InChIKeyPYEVKZHFENDGRS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.41
Rot. Bonds10

About N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide

N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide (PubChem CID 15840789) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide
PubChem CID15840789
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide
SMILESO=C(NCCCCNCCOc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-22(18-8-2-1-3-9-18)25-14-5-4-13-23-16-17-27-21-12-6-11-20-19(21)10-7-15-24-20/h1-3,6-12,15,23H,4-5,13-14,16-17H2,(H,25,26)
InChIKeyPYEVKZHFENDGRS-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.41
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

3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
5-(9-bromononoxy)quinoline
CID 103044601
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
CID 164897903
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide?
The IUPAC name of N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide (CID 15840789) is N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide.
What is the SMILES notation for N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide?
The canonical SMILES for N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide is O=C(NCCCCNCCOc1cccc2ncccc12)c1ccccc1.
What is the InChIKey of N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide?
The InChIKey is PYEVKZHFENDGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-22(18-8-2-1-3-9-18)25-14-5-4-13-23-16-17-27-21-12-6-11-20-19(21)10-7-15-24-20/h1-3,6-12,15,23H,4-5,13-14,16-17H2,(H,25,26).
What are the key properties of N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide?
N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide is sourced from PubChem (CID 15840789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).