1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate

C19H18NO5- — CID 5085685

IUPAC1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
SMILESCOc1ccc(-n2c3c(cc(C(=O)[O-])c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H19NO5/c1-19(2)9-15-13(16(21)10-19)8-14(18(23)24)17(22)20(15)11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,23,24)/p-1
InChIKeyGNKKRLWBXDEIKX-UHFFFAOYSA-M
MW340.36 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate

1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate (PubChem CID 5085685) has the molecular formula C19H18NO5- and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
PubChem CID5085685
Molecular FormulaC19H18NO5-
Molecular Weight340.36 g/mol
Exact Mass340.12
IUPAC Name1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
SMILESCOc1ccc(-n2c3c(cc(C(=O)[O-])c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H19NO5/c1-19(2)9-15-13(16(21)10-19)8-14(18(23)24)17(22)20(15)11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,23,24)/p-1
InChIKeyGNKKRLWBXDEIKX-UHFFFAOYSA-M
XLogP1.36
TPSA88.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate?
The IUPAC name of 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate (CID 5085685) is 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate.
What is the SMILES notation for 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate?
The canonical SMILES for 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate is COc1ccc(-n2c3c(cc(C(=O)[O-])c2=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate?
The InChIKey is GNKKRLWBXDEIKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19NO5/c1-19(2)9-15-13(16(21)10-19)8-14(18(23)24)17(22)20(15)11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,23,24)/p-1.
What are the key properties of 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate?
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 5085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).