[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone

C23H25N3O2 — CID 25072332

IUPAC[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2c(CO)cccc12
InChIInChI=1S/C23H25N3O2/c1-16-8-3-4-11-20(16)25-22-18-10-7-9-17(15-27)21(18)24-14-19(22)23(28)26-12-5-2-6-13-26/h3-4,7-11,14,27H,2,5-6,12-13,15H2,1H3,(H,24,25)
InChIKeyMUEQDAHGZZKCRM-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.41
Rot. Bonds4

About [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone

[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 25072332) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID25072332
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2c(CO)cccc12
InChIInChI=1S/C23H25N3O2/c1-16-8-3-4-11-20(16)25-22-18-10-7-9-17(15-27)21(18)24-14-19(22)23(28)26-12-5-2-6-13-26/h3-4,7-11,14,27H,2,5-6,12-13,15H2,1H3,(H,24,25)
InChIKeyMUEQDAHGZZKCRM-UHFFFAOYSA-N
XLogP4.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone (CID 25072332) is [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone is Cc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2c(CO)cccc12.
What is the InChIKey of [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is MUEQDAHGZZKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-3-4-11-20(16)25-22-18-10-7-9-17(15-27)21(18)24-14-19(22)23(28)26-12-5-2-6-13-26/h3-4,7-11,14,27H,2,5-6,12-13,15H2,1H3,(H,24,25).
What are the key properties of [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25072332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).