N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide

C26H29N5O3 — CID 15005646

IUPACN-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N5O3/c32-24(27-20-10-12-31(13-11-20)17-18-5-2-1-3-6-18)7-4-14-34-21-8-9-22-19(15-21)16-23-25(28-22)30-26(33)29-23/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H,27,32)(H2,28,29,30,33)
InChIKeyWKKWQBRPKVDRTP-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.34
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide

N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide (PubChem CID 15005646) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
PubChem CID15005646
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N5O3/c32-24(27-20-10-12-31(13-11-20)17-18-5-2-1-3-6-18)7-4-14-34-21-8-9-22-19(15-21)16-23-25(28-22)30-26(33)29-23/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H,27,32)(H2,28,29,30,33)
InChIKeyWKKWQBRPKVDRTP-UHFFFAOYSA-N
XLogP3.34
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide (CID 15005646) is N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The InChIKey is WKKWQBRPKVDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c32-24(27-20-10-12-31(13-11-20)17-18-5-2-1-3-6-18)7-4-14-34-21-8-9-22-19(15-21)16-23-25(28-22)30-26(33)29-23/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H,27,32)(H2,28,29,30,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide has a molecular weight of 459.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide is sourced from PubChem (CID 15005646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).