(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C25H28N2O5 — CID 16814041

IUPAC(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C25H28N2O5/c1-15-6-8-18-14-19(25(29)27-23(18)16(15)2)10-11-26-22(28)9-7-17-12-20(30-3)24(32-5)21(13-17)31-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,28)(H,27,29)/b9-7-
InChIKeyKFRFRLXLANHJFP-CLFYSBASSA-N
MW436.51 g/mol
LogP3.54
Rot. Bonds8

About (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 16814041) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID16814041
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C25H28N2O5/c1-15-6-8-18-14-19(25(29)27-23(18)16(15)2)10-11-26-22(28)9-7-17-12-20(30-3)24(32-5)21(13-17)31-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,28)(H,27,29)/b9-7-
InChIKeyKFRFRLXLANHJFP-CLFYSBASSA-N
XLogP3.54
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 71499417
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
1-(3,4-dimethoxyphenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136994
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080105
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
(E)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26594326
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 16814041) is (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C\C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is KFRFRLXLANHJFP-CLFYSBASSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-15-6-8-18-14-19(25(29)27-23(18)16(15)2)10-11-26-22(28)9-7-17-12-20(30-3)24(32-5)21(13-17)31-4/h6-9,12-14H,10-11H2,1-5H3,(H,26,28)(H,27,29)/b9-7-.
What are the key properties of (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 436.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 16814041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).