(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

C23H24N2O3 — CID 110627981

IUPAC(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCOc1ccc(CCCCNC(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O3/c1-28-20-12-9-17(10-13-20)6-4-5-15-24-22(26)14-11-19-16-18-7-2-3-8-21(18)25-23(19)27/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,26)(H,25,27)/b14-11+
InChIKeyIKDUFIWMASBSCT-SDNWHVSQSA-N
MW376.46 g/mol
LogP3.69
Rot. Bonds8

About (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110627981) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110627981
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCOc1ccc(CCCCNC(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O3/c1-28-20-12-9-17(10-13-20)6-4-5-15-24-22(26)14-11-19-16-18-7-2-3-8-21(18)25-23(19)27/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,26)(H,25,27)/b14-11+
InChIKeyIKDUFIWMASBSCT-SDNWHVSQSA-N
XLogP3.69
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
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

(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110412791
(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110613526
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943
3-[(E)-3-(5-ethyl-2-methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 158522066
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110423772
ethyl 4-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]amino]benzoate
CID 110426664
3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one;3-[(E)-3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one;molecular hydrogen
CID 145310284
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110627981) is (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is COc1ccc(CCCCNC(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is IKDUFIWMASBSCT-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-28-20-12-9-17(10-13-20)6-4-5-15-24-22(26)14-11-19-16-18-7-2-3-8-21(18)25-23(19)27/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,26)(H,25,27)/b14-11+.
What are the key properties of (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110627981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).