propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate

C19H17NO3 — CID 13421597

IUPACpropan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO3/c1-12(2)23-19(22)14-8-9-16-15(10-14)18(21)11-17(20-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyIIZKQQGMBXFRNH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.76
Rot. Bonds3

About propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate

propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate (PubChem CID 13421597) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate
PubChem CID13421597
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namepropan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO3/c1-12(2)23-19(22)14-8-9-16-15(10-14)18(21)11-17(20-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyIIZKQQGMBXFRNH-UHFFFAOYSA-N
XLogP3.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Ethyl 4-(benzoylamino)benzoate
CID 12914
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate
CID 232605
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
CID 3243284
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910
diethyl 7-methyl-2-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydroquinoline-3,6-dicarboxylate
CID 44354206
pentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11492986
6-Ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone
CID 11587331
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
CID 11594914

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate?
The IUPAC name of propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate (CID 13421597) is propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate.
What is the SMILES notation for propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate?
The canonical SMILES for propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate is CC(C)OC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate?
The InChIKey is IIZKQQGMBXFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12(2)23-19(22)14-8-9-16-15(10-14)18(21)11-17(20-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate?
propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-oxo-2-phenyl-1H-quinoline-6-carboxylate is sourced from PubChem (CID 13421597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).