ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C16H17N3O5 — CID 95122995

IUPACethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1[C@@H]1CC(=O)Nc2cc(O)c(C)cc21
InChIInChI=1S/C16H17N3O5/c1-3-24-15(22)14-13(18-16(23)19-14)9-5-12(21)17-10-6-11(20)7(2)4-8(9)10/h4,6,9,20H,3,5H2,1-2H3,(H,17,21)(H2,18,19,23)/t9-/m1/s1
InChIKeyXPKZFEYABWJXFJ-SECBINFHSA-N
MW331.33 g/mol
LogP1.37
Rot. Bonds3

About ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 95122995) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID95122995
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Nameethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1[C@@H]1CC(=O)Nc2cc(O)c(C)cc21
InChIInChI=1S/C16H17N3O5/c1-3-24-15(22)14-13(18-16(23)19-14)9-5-12(21)17-10-6-11(20)7(2)4-8(9)10/h4,6,9,20H,3,5H2,1-2H3,(H,17,21)(H2,18,19,23)/t9-/m1/s1
InChIKeyXPKZFEYABWJXFJ-SECBINFHSA-N
XLogP1.37
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
CID 95138160
N-[[5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95134899
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
(4R)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95132979
(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2764050
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
ethyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 757835
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 95122995) is ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1[C@@H]1CC(=O)Nc2cc(O)c(C)cc21.
What is the InChIKey of ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is XPKZFEYABWJXFJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-3-24-15(22)14-13(18-16(23)19-14)9-5-12(21)17-10-6-11(20)7(2)4-8(9)10/h4,6,9,20H,3,5H2,1-2H3,(H,17,21)(H2,18,19,23)/t9-/m1/s1.
What are the key properties of ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 331.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 95122995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).