2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone

C25H28N6O3 — CID 10276341

IUPAC2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCN(C(=O)CN)CC3)c2n1
InChIInChI=1S/C25H28N6O3/c1-33-13-14-34-19-6-7-21-20(15-19)27-17-31(21)23-8-5-18-3-2-4-22(25(18)28-23)29-9-11-30(12-10-29)24(32)16-26/h2-8,15,17H,9-14,16,26H2,1H3
InChIKeyMAFWKRLAGPFUAY-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone

2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone (PubChem CID 10276341) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
PubChem CID10276341
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCN(C(=O)CN)CC3)c2n1
InChIInChI=1S/C25H28N6O3/c1-33-13-14-34-19-6-7-21-20(15-19)27-17-31(21)23-8-5-18-3-2-4-22(25(18)28-23)29-9-11-30(12-10-29)24(32)16-26/h2-8,15,17H,9-14,16,26H2,1H3
InChIKeyMAFWKRLAGPFUAY-UHFFFAOYSA-N
XLogP2.21
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
CID 10135365
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
CID 22227010
2-(5-methoxybenzimidazol-1-yl)-N,N-dimethylquinolin-8-amine
CID 170712450
2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
CID 11634317
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone (CID 10276341) is 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone is COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCN(C(=O)CN)CC3)c2n1.
What is the InChIKey of 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is MAFWKRLAGPFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-33-13-14-34-19-6-7-21-20(15-19)27-17-31(21)23-8-5-18-3-2-4-22(25(18)28-23)29-9-11-30(12-10-29)24(32)16-26/h2-8,15,17H,9-14,16,26H2,1H3.
What are the key properties of 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone?
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 460.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10276341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).