methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate

C15H12N2O3 — CID 864984

IUPACmethyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H12N2O3/c1-9-3-4-13-10(5-9)6-11(14(18)17-13)7-12(8-16)15(19)20-2/h3-7H,1-2H3,(H,17,18)/b12-7-
InChIKeySZHCKTSDQIIEOV-GHXNOFRVSA-N
MW268.27 g/mol
LogP1.92
Rot. Bonds2

About methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate

methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate (PubChem CID 864984) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate
PubChem CID864984
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H12N2O3/c1-9-3-4-13-10(5-9)6-11(14(18)17-13)7-12(8-16)15(19)20-2/h3-7H,1-2H3,(H,17,18)/b12-7-
InChIKeySZHCKTSDQIIEOV-GHXNOFRVSA-N
XLogP1.92
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate with MolForge

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Related Compounds

6-Methylquinolin-2(1H)-one
CID 12237458
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
4,6-Dimethyl-2-hydroxyquinoline
CID 269608
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
1,2-Dihydro-4-methyl-2-oxo-3-quinolinecarbonitrile
CID 603563
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
CID 906097
2-Oxo-1,2-dihydroquinoline-3-carbonitrile
CID 2764577
methyl (Z)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate
CID 864994
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500
methyl cyano(1-methyl-2(1H)-quinolinylidene)acetate
CID 6947253
3-[4-(Acetylamino)phenyl]-2-cyanoacrylamide
CID 5716880

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate (CID 864984) is methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate is COC(=O)/C(C#N)=C\c1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate?
The InChIKey is SZHCKTSDQIIEOV-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-3-4-13-10(5-9)6-11(14(18)17-13)7-12(8-16)15(19)20-2/h3-7H,1-2H3,(H,17,18)/b12-7-.
What are the key properties of methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate?
methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate is sourced from PubChem (CID 864984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).