(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide

C19H22N2O2 — CID 109388190

IUPAC(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccnc2ccccc12)N(CCCCO)C1CC1
InChIInChI=1S/C19H22N2O2/c22-14-4-3-13-21(16-8-9-16)19(23)10-7-15-11-12-20-18-6-2-1-5-17(15)18/h1-2,5-7,10-12,16,22H,3-4,8-9,13-14H2/b10-7+
InChIKeyANVSWQHXRYBAOW-JXMROGBWSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds7

About (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide

(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide (PubChem CID 109388190) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide
PubChem CID109388190
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccnc2ccccc12)N(CCCCO)C1CC1
InChIInChI=1S/C19H22N2O2/c22-14-4-3-13-21(16-8-9-16)19(23)10-7-15-11-12-20-18-6-2-1-5-17(15)18/h1-2,5-7,10-12,16,22H,3-4,8-9,13-14H2/b10-7+
InChIKeyANVSWQHXRYBAOW-JXMROGBWSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide (CID 109388190) is (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide is O=C(/C=C/c1ccnc2ccccc12)N(CCCCO)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide?
The InChIKey is ANVSWQHXRYBAOW-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-14-4-3-13-21(16-8-9-16)19(23)10-7-15-11-12-20-18-6-2-1-5-17(15)18/h1-2,5-7,10-12,16,22H,3-4,8-9,13-14H2/b10-7+.
What are the key properties of (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide?
(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide is sourced from PubChem (CID 109388190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).