6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine

C21H23FN4 — CID 176561499

IUPAC6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC=C(NCc2ccc3nccnc3c2)C(N2CCCC2)=C(F)C1
InChIInChI=1S/C21H23FN4/c1-15-4-6-19(21(17(22)12-15)26-10-2-3-11-26)25-14-16-5-7-18-20(13-16)24-9-8-23-18/h4-9,13,25H,2-3,10-12,14H2,1H3
InChIKeyFUTYOPMGKGUNNX-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.23
Rot. Bonds4

About 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine

6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 176561499) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID176561499
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC=C(NCc2ccc3nccnc3c2)C(N2CCCC2)=C(F)C1
InChIInChI=1S/C21H23FN4/c1-15-4-6-19(21(17(22)12-15)26-10-2-3-11-26)25-14-16-5-7-18-20(13-16)24-9-8-23-18/h4-9,13,25H,2-3,10-12,14H2,1H3
InChIKeyFUTYOPMGKGUNNX-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine with MolForge

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Related Compounds

3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
CID 176561576
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
CID 168936928
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine (CID 176561499) is 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine is CC1=CC=C(NCc2ccc3nccnc3c2)C(N2CCCC2)=C(F)C1.
What is the InChIKey of 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is FUTYOPMGKGUNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-15-4-6-19(21(17(22)12-15)26-10-2-3-11-26)25-14-16-5-7-18-20(13-16)24-9-8-23-18/h4-9,13,25H,2-3,10-12,14H2,1H3.
What are the key properties of 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine?
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 350.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 176561499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).