4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile

C27H16ClFN4 — CID 171527342

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C27H16ClFN4/c28-22-12-26-18(11-23(22)29)7-8-33(26)27-20(13-30)15-32-25-6-5-16(10-21(25)27)19-9-17-3-1-2-4-24(17)31-14-19/h1-6,9-12,14-15H,7-8H2
InChIKeyMOYUHGLRYQDGBX-UHFFFAOYSA-N
MW450.90 g/mol
LogP6.81
Rot. Bonds2

About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile (PubChem CID 171527342) has the molecular formula C27H16ClFN4 and a molecular weight of 450.90 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile
PubChem CID171527342
Molecular FormulaC27H16ClFN4
Molecular Weight450.90 g/mol
Exact Mass450.10
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C27H16ClFN4/c28-22-12-26-18(11-23(22)29)7-8-33(26)27-20(13-30)15-32-25-6-5-16(10-21(25)27)19-9-17-3-1-2-4-24(17)31-14-19/h1-6,9-12,14-15H,7-8H2
InChIKeyMOYUHGLRYQDGBX-UHFFFAOYSA-N
XLogP6.81
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
8-fluoro-5-(4-fluorophenyl)-2-(4-quinolin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 13900391
7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine
CID 10624122
7-Chloro-1-[[3-[3-[(7-chloro-4-pyrrolidin-1-ylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-4-pyrrolidin-1-ylquinolin-1-ium dibromide
CID 11205090
7-chloro-1-[[3-[3-[[7-chloro-4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-methyl-N-phenylquinolin-1-ium-4-amine dibromide
CID 11400295
8-(3-(1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethyl)phenyl)-6-isopropylquinoline
CID 10183196
6-(4-Chlorophenyl)-n-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11575548
6-(3-Cyanobenzylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420086
4-(3-Chloro-4-fluoro-phenylamino)-6-[(pyridin-3-ylmethyl)-amino]-quinoline-3-carbonitrile
CID 44435411
N,N-dibenzyl-2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanamine
CID 44819928
1-(3-chloro-4-fluorophenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350923

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile (CID 171527342) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile?
The InChIKey is MOYUHGLRYQDGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClFN4/c28-22-12-26-18(11-23(22)29)7-8-33(26)27-20(13-30)15-32-25-6-5-16(10-21(25)27)19-9-17-3-1-2-4-24(17)31-14-19/h1-6,9-12,14-15H,7-8H2.
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile has a molecular weight of 450.90 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-quinolin-3-ylquinoline-3-carbonitrile is sourced from PubChem (CID 171527342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).