2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide

C26H30N6O3 — CID 10162497

IUPAC2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(NC(=O)CN)CC3)c2n1
InChIInChI=1S/C26H30N6O3/c1-34-13-14-35-20-6-7-22-21(15-20)28-17-32(22)24-8-5-18-3-2-4-23(26(18)30-24)31-11-9-19(10-12-31)29-25(33)16-27/h2-8,15,17,19H,9-14,16,27H2,1H3,(H,29,33)
InChIKeyWOKWXFPZMKKQRP-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.64
Rot. Bonds8

About 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide

2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide (PubChem CID 10162497) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
PubChem CID10162497
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(NC(=O)CN)CC3)c2n1
InChIInChI=1S/C26H30N6O3/c1-34-13-14-35-20-6-7-22-21(15-20)28-17-32(22)24-8-5-18-3-2-4-23(26(18)30-24)31-11-9-19(10-12-31)29-25(33)16-27/h2-8,15,17,19H,9-14,16,27H2,1H3,(H,29,33)
InChIKeyWOKWXFPZMKKQRP-UHFFFAOYSA-N
XLogP2.64
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
CID 151210296
N-[1-[2-(5-hydroxybenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]-methylboronamidic acid;molecular hydrogen
CID 157233133
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
CID 10135365
6-[2-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-hydroxy-2-methylpropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11505555
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
CID 22227010
2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
CID 11634317
6-[4-amino-1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11541903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide (CID 10162497) is 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide is COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(NC(=O)CN)CC3)c2n1.
What is the InChIKey of 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide?
The InChIKey is WOKWXFPZMKKQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-34-13-14-35-20-6-7-22-21(15-20)28-17-32(22)24-8-5-18-3-2-4-23(26(18)30-24)31-11-9-19(10-12-31)29-25(33)16-27/h2-8,15,17,19H,9-14,16,27H2,1H3,(H,29,33).
What are the key properties of 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide?
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide has a molecular weight of 474.57 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10162497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).