(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate

C19H15NO3 — CID 6265998

IUPAC(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate
SMILESCc1ccc2[nH]c(=O)cc(OC(=O)/C=C/c3ccccc3)c2c1
InChIInChI=1S/C19H15NO3/c1-13-7-9-16-15(11-13)17(12-18(21)20-16)23-19(22)10-8-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-8+
InChIKeyIVHDRRYSTAILPA-CSKARUKUSA-N
MW305.33 g/mol
LogP3.46
Rot. Bonds3

About (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate

(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate (PubChem CID 6265998) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate
PubChem CID6265998
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate
SMILESCc1ccc2[nH]c(=O)cc(OC(=O)/C=C/c3ccccc3)c2c1
InChIInChI=1S/C19H15NO3/c1-13-7-9-16-15(11-13)17(12-18(21)20-16)23-19(22)10-8-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-8+
InChIKeyIVHDRRYSTAILPA-CSKARUKUSA-N
XLogP3.46
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
6-methyl-4-phenoxy-1H-quinolin-2-one
CID 11989514
(2-tert-butyl-4-methylphenyl) 3-phenylprop-2-enoate
CID 4940161
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 917922
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate (CID 6265998) is (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate is Cc1ccc2[nH]c(=O)cc(OC(=O)/C=C/c3ccccc3)c2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate?
The InChIKey is IVHDRRYSTAILPA-CSKARUKUSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-7-9-16-15(11-13)17(12-18(21)20-16)23-19(22)10-8-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-8+.
What are the key properties of (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate?
(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate has a molecular weight of 305.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6265998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).