(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide

C22H22N2O3 — CID 39834689

IUPAC(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12
InChIInChI=1S/C22H22N2O3/c1-3-15-27-20-12-11-19(18-5-4-14-23-22(18)20)24-21(25)13-8-16-6-9-17(26-2)10-7-16/h4-14H,3,15H2,1-2H3,(H,24,25)/b13-8+
InChIKeyMWNMKABHGQGEFL-MDWZMJQESA-N
MW362.43 g/mol
LogP4.68
Rot. Bonds7

About (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide (PubChem CID 39834689) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide
PubChem CID39834689
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12
InChIInChI=1S/C22H22N2O3/c1-3-15-27-20-12-11-19(18-5-4-14-23-22(18)20)24-21(25)13-8-16-6-9-17(26-2)10-7-16/h4-14H,3,15H2,1-2H3,(H,24,25)/b13-8+
InChIKeyMWNMKABHGQGEFL-MDWZMJQESA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
CID 39834698
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(E)-3-(1,3-benzodioxol-5-yl)-N-(8-methoxyquinolin-5-yl)prop-2-enamide
CID 60575422
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
methyl 2-[5-[3-(2,6-difluorophenyl)prop-2-enoylamino]quinolin-8-yl]oxyacetate
CID 71847241
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide (CID 39834689) is (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide is CCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide?
The InChIKey is MWNMKABHGQGEFL-MDWZMJQESA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-15-27-20-12-11-19(18-5-4-14-23-22(18)20)24-21(25)13-8-16-6-9-17(26-2)10-7-16/h4-14H,3,15H2,1-2H3,(H,24,25)/b13-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide is sourced from PubChem (CID 39834689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).