ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline

C27H35FN4 — CID 142492563

IUPACethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline
SMILESC=C1C(C)=CC(c2cc(F)c3nc(C4CCN(C)CC4)ccc3c2)=NN1C=C(C)C.CC
InChIInChI=1S/C25H29FN4.C2H6/c1-16(2)15-30-18(4)17(3)12-24(28-30)21-13-20-6-7-23(27-25(20)22(26)14-21)19-8-10-29(5)11-9-19;1-2/h6-7,12-15,19H,4,8-11H2,1-3,5H3;1-2H3
InChIKeyFNWKRHNLNBSMPD-UHFFFAOYSA-N
MW434.60 g/mol
LogP6.61
Rot. Bonds3

About ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline

ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline (PubChem CID 142492563) has the molecular formula C27H35FN4 and a molecular weight of 434.60 g/mol. Its IUPAC name is ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline.

Molecular Properties

Compound Nameethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline
PubChem CID142492563
Molecular FormulaC27H35FN4
Molecular Weight434.60 g/mol
Exact Mass434.28
IUPAC Nameethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline
SMILESC=C1C(C)=CC(c2cc(F)c3nc(C4CCN(C)CC4)ccc3c2)=NN1C=C(C)C.CC
InChIInChI=1S/C25H29FN4.C2H6/c1-16(2)15-30-18(4)17(3)12-24(28-30)21-13-20-6-7-23(27-25(20)22(26)14-21)19-8-10-29(5)11-9-19;1-2/h6-7,12-15,19H,4,8-11H2,1-3,5H3;1-2H3
InChIKeyFNWKRHNLNBSMPD-UHFFFAOYSA-N
XLogP6.61
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline with MolForge

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Related Compounds

N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine
CID 142492344
(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 142492328
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
CID 91148535
2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine
CID 171542387
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 174159695
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
2-(1-methylpiperidin-4-yl)-7-oxido-4,8-diphenyl-1,7-naphthyridin-7-ium
CID 59479316
2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
CID 175802649
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 116904091

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline?
The IUPAC name of ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline (CID 142492563) is ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline.
What is the SMILES notation for ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline?
The canonical SMILES for ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline is C=C1C(C)=CC(c2cc(F)c3nc(C4CCN(C)CC4)ccc3c2)=NN1C=C(C)C.CC.
What is the InChIKey of ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline?
The InChIKey is FNWKRHNLNBSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4.C2H6/c1-16(2)15-30-18(4)17(3)12-24(28-30)21-13-20-6-7-23(27-25(20)22(26)14-21)19-8-10-29(5)11-9-19;1-2/h6-7,12-15,19H,4,8-11H2,1-3,5H3;1-2H3.
What are the key properties of ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline?
ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline has a molecular weight of 434.60 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline is sourced from PubChem (CID 142492563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).