(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide

C22H22N2O2 — CID 56534634

IUPAC(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
SMILESC/C(=C/C(=O)NCCCOc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-17(18-8-3-2-4-9-18)16-21(25)23-14-7-15-26-20-12-5-10-19-11-6-13-24-22(19)20/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,25)/b17-16-
InChIKeySTLQEVWISCDVRT-MSUUIHNZSA-N
MW346.43 g/mol
LogP4.22
Rot. Bonds7

About (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide

(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide (PubChem CID 56534634) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
PubChem CID56534634
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
SMILESC/C(=C/C(=O)NCCCOc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-17(18-8-3-2-4-9-18)16-21(25)23-14-7-15-26-20-12-5-10-19-11-6-13-24-22(19)20/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,25)/b17-16-
InChIKeySTLQEVWISCDVRT-MSUUIHNZSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
CID 111123466
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine;hydroiodide
CID 111123465

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide (CID 56534634) is (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide is C/C(=C/C(=O)NCCCOc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide?
The InChIKey is STLQEVWISCDVRT-MSUUIHNZSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17(18-8-3-2-4-9-18)16-21(25)23-14-7-15-26-20-12-5-10-19-11-6-13-24-22(19)20/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,25)/b17-16-.
What are the key properties of (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide?
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide is sourced from PubChem (CID 56534634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).