(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone

C19H24N2O2 — CID 96709887

IUPAC(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
SMILESCCCCOc1ccc(C(=O)C2CCNCC2)c2cccnc12
InChIInChI=1S/C19H24N2O2/c1-2-3-13-23-17-7-6-16(15-5-4-10-21-18(15)17)19(22)14-8-11-20-12-9-14/h4-7,10,14,20H,2-3,8-9,11-13H2,1H3
InChIKeyLPAVSOGREUCDBK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds6

About (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone

(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone (PubChem CID 96709887) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
PubChem CID96709887
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
SMILESCCCCOc1ccc(C(=O)C2CCNCC2)c2cccnc12
InChIInChI=1S/C19H24N2O2/c1-2-3-13-23-17-7-6-16(15-5-4-10-21-18(15)17)19(22)14-8-11-20-12-9-14/h4-7,10,14,20H,2-3,8-9,11-13H2,1H3
InChIKeyLPAVSOGREUCDBK-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone
CID 96708630
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
CID 20678160
CID 20678160
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547

Frequently Asked Questions

What is the IUPAC name of (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone?
The IUPAC name of (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone (CID 96709887) is (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone is CCCCOc1ccc(C(=O)C2CCNCC2)c2cccnc12.
What is the InChIKey of (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone?
The InChIKey is LPAVSOGREUCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-3-13-23-17-7-6-16(15-5-4-10-21-18(15)17)19(22)14-8-11-20-12-9-14/h4-7,10,14,20H,2-3,8-9,11-13H2,1H3.
What are the key properties of (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone?
(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone has a molecular weight of 312.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 96709887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).