6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine

C27H26N8 — CID 167367124

IUPAC6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(Nc4ccc(N5CCNCC5)cn4)cc3c2)n1
InChIInChI=1S/C27H26N8/c1-18-3-2-4-24(33-18)27-26(31-17-32-27)19-5-7-23-20(13-19)14-21(15-29-23)34-25-8-6-22(16-30-25)35-11-9-28-10-12-35/h2-8,13-17,28H,9-12H2,1H3,(H,30,34)(H,31,32)
InChIKeyUKPXAFJEENIEEB-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.54
Rot. Bonds5

About 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine

6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine (PubChem CID 167367124) has the molecular formula C27H26N8 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine
PubChem CID167367124
Molecular FormulaC27H26N8
Molecular Weight462.56 g/mol
Exact Mass462.23
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(Nc4ccc(N5CCNCC5)cn4)cc3c2)n1
InChIInChI=1S/C27H26N8/c1-18-3-2-4-24(33-18)27-26(31-17-32-27)19-5-7-23-20(13-19)14-21(15-29-23)34-25-8-6-22(16-30-25)35-11-9-28-10-12-35/h2-8,13-17,28H,9-12H2,1H3,(H,30,34)(H,31,32)
InChIKeyUKPXAFJEENIEEB-UHFFFAOYSA-N
XLogP4.54
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine (CID 167367124) is 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(Nc4ccc(N5CCNCC5)cn4)cc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?
The InChIKey is UKPXAFJEENIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8/c1-18-3-2-4-24(33-18)27-26(31-17-32-27)19-5-7-23-20(13-19)14-21(15-29-23)34-25-8-6-22(16-30-25)35-11-9-28-10-12-35/h2-8,13-17,28H,9-12H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?
6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine has a molecular weight of 462.56 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine is sourced from PubChem (CID 167367124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).