8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline

C18H24FN3 — CID 133388826

IUPAC8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
SMILESCCCN1CCCN(c2cc(C)nc3c(F)cccc23)CC1
InChIInChI=1S/C18H24FN3/c1-3-8-21-9-5-10-22(12-11-21)17-13-14(2)20-18-15(17)6-4-7-16(18)19/h4,6-7,13H,3,5,8-12H2,1-2H3
InChIKeyZCCSKZCFERWLSF-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.60
Rot. Bonds3

About 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline

8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline (PubChem CID 133388826) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
PubChem CID133388826
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
SMILESCCCN1CCCN(c2cc(C)nc3c(F)cccc23)CC1
InChIInChI=1S/C18H24FN3/c1-3-8-21-9-5-10-22(12-11-21)17-13-14(2)20-18-15(17)6-4-7-16(18)19/h4,6-7,13H,3,5,8-12H2,1-2H3
InChIKeyZCCSKZCFERWLSF-UHFFFAOYSA-N
XLogP3.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
4-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-methylquinoline
CID 80670661
2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133368265
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
CID 133499902
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133368525
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
2-methyl-4-(4-methylpiperazin-1-yl)quinolin-8-ol;hydrochloride
CID 19603387

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The IUPAC name of 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline (CID 133388826) is 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline is CCCN1CCCN(c2cc(C)nc3c(F)cccc23)CC1.
What is the InChIKey of 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The InChIKey is ZCCSKZCFERWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-3-8-21-9-5-10-22(12-11-21)17-13-14(2)20-18-15(17)6-4-7-16(18)19/h4,6-7,13H,3,5,8-12H2,1-2H3.
What are the key properties of 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline has a molecular weight of 301.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 133388826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).