2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

C21H22FN6+ — CID 170855697

IUPAC2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1c[n+]2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2[nH]1
InChIInChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3/p+1
InChIKeyBAUHPLMKUXWNJQ-UHFFFAOYSA-O
MW377.45 g/mol
LogP2.56
Rot. Bonds2

About 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 170855697) has the molecular formula C21H22FN6+ and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
PubChem CID170855697
Molecular FormulaC21H22FN6+
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1c[n+]2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2[nH]1
InChIInChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3/p+1
InChIKeyBAUHPLMKUXWNJQ-UHFFFAOYSA-O
XLogP2.56
TPSA52.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 138958586
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline
CID 168977346
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453
6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
CID 168977126
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline
CID 168977015
6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
CID 168977017
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine
CID 147294549
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
6-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylquinoline
CID 67959181
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 141167862

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline (CID 170855697) is 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline is Cc1c[n+]2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2[nH]1.
What is the InChIKey of 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is BAUHPLMKUXWNJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3/p+1.
What are the key properties of 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 377.45 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 170855697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).