(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

C18H16N2O3 — CID 95745053

IUPAC(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc2cc(NC(=O)/C=C/c3ccc(C)o3)cnc2c1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-15(23-12)7-8-18(21)20-14-9-13-4-6-16(22-2)10-17(13)19-11-14/h3-11H,1-2H3,(H,20,21)/b8-7+
InChIKeyQYHVWUSORNWTIB-BQYQJAHWSA-N
MW308.34 g/mol
LogP3.80
Rot. Bonds4

About (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 95745053) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID95745053
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc2cc(NC(=O)/C=C/c3ccc(C)o3)cnc2c1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-15(23-12)7-8-18(21)20-14-9-13-4-6-16(22-2)10-17(13)19-11-14/h3-11H,1-2H3,(H,20,21)/b8-7+
InChIKeyQYHVWUSORNWTIB-BQYQJAHWSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide with MolForge

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 50843852
(E)-N'-[2-(4-methoxyphenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 6146665
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
N-(7-methoxyquinolin-3-yl)-2,5-dimethylbenzamide
CID 95745195
N-(7-methoxyquinolin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 54773926
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920

Frequently Asked Questions

What is the IUPAC name of (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 95745053) is (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc2cc(NC(=O)/C=C/c3ccc(C)o3)cnc2c1.
What is the InChIKey of (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is QYHVWUSORNWTIB-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-3-5-15(23-12)7-8-18(21)20-14-9-13-4-6-16(22-2)10-17(13)19-11-14/h3-11H,1-2H3,(H,20,21)/b8-7+.
What are the key properties of (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 95745053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).