1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine

C25H19FN4O2 — CID 42276305

IUPAC1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESFc1ccc(-c2nc3cc4c(cc3cc2CNCc2cn3ccccc3n2)OCO4)cc1
InChIInChI=1S/C25H19FN4O2/c26-19-6-4-16(5-7-19)25-18(9-17-10-22-23(32-15-31-22)11-21(17)29-25)12-27-13-20-14-30-8-2-1-3-24(30)28-20/h1-11,14,27H,12-13,15H2
InChIKeyKTYXEOMAPIIHLV-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.71
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine

1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine (PubChem CID 42276305) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
PubChem CID42276305
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESFc1ccc(-c2nc3cc4c(cc3cc2CNCc2cn3ccccc3n2)OCO4)cc1
InChIInChI=1S/C25H19FN4O2/c26-19-6-4-16(5-7-19)25-18(9-17-10-22-23(32-15-31-22)11-21(17)29-25)12-27-13-20-14-30-8-2-1-3-24(30)28-20/h1-11,14,27H,12-13,15H2
InChIKeyKTYXEOMAPIIHLV-UHFFFAOYSA-N
XLogP4.71
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
1-(2,5-difluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 63030565
1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
CID 42480618
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
methyl 4-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]piperazine-1-carboxylate
CID 70752566
N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 42939704
5-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 31343326
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 102847163
1-(4,5-dimethylthiophen-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 65244077
N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 118758838
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
CID 115572847

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine (CID 42276305) is 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine is Fc1ccc(-c2nc3cc4c(cc3cc2CNCc2cn3ccccc3n2)OCO4)cc1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The InChIKey is KTYXEOMAPIIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c26-19-6-4-16(5-7-19)25-18(9-17-10-22-23(32-15-31-22)11-21(17)29-25)12-27-13-20-14-30-8-2-1-3-24(30)28-20/h1-11,14,27H,12-13,15H2.
What are the key properties of 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine has a molecular weight of 426.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 42276305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).