7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid

C24H24N2O4 — CID 142800445

IUPAC7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
SMILESCCC(=O)N1CCC(Oc2ccc(-c3ccc4cccnc4c3C(=O)O)cc2)CC1
InChIInChI=1S/C24H24N2O4/c1-2-21(27)26-14-11-19(12-15-26)30-18-8-5-16(6-9-18)20-10-7-17-4-3-13-25-23(17)22(20)24(28)29/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,28,29)
InChIKeyKBVPSEVJSNVQEU-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.38
Rot. Bonds5

About 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid

7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid (PubChem CID 142800445) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
PubChem CID142800445
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
SMILESCCC(=O)N1CCC(Oc2ccc(-c3ccc4cccnc4c3C(=O)O)cc2)CC1
InChIInChI=1S/C24H24N2O4/c1-2-21(27)26-14-11-19(12-15-26)30-18-8-5-16(6-9-18)20-10-7-17-4-3-13-25-23(17)22(20)24(28)29/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,28,29)
InChIKeyKBVPSEVJSNVQEU-UHFFFAOYSA-N
XLogP4.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid?
The IUPAC name of 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid (CID 142800445) is 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid.
What is the SMILES notation for 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid?
The canonical SMILES for 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid is CCC(=O)N1CCC(Oc2ccc(-c3ccc4cccnc4c3C(=O)O)cc2)CC1.
What is the InChIKey of 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid?
The InChIKey is KBVPSEVJSNVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-21(27)26-14-11-19(12-15-26)30-18-8-5-16(6-9-18)20-10-7-17-4-3-13-25-23(17)22(20)24(28)29/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,28,29).
What are the key properties of 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid?
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid is sourced from PubChem (CID 142800445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).