4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline

C35H19ClF4N4 — CID 126544188

IUPAC4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3cc(-n4cc(-c5ccc6cccc(Cl)c6n5)c5cc(F)c(F)c(F)c54)c4ccc(F)cc4n3)c[nH]c12
InChIInChI=1S/C35H19ClF4N4/c1-17-4-2-6-20-23(15-41-33(17)20)29-14-30(21-10-9-19(37)12-28(21)42-29)44-16-24(22-13-26(38)31(39)32(40)35(22)44)27-11-8-18-5-3-7-25(36)34(18)43-27/h2-16,41H,1H3
InChIKeyKYLWTDOKBAJMBU-UHFFFAOYSA-N
MW607.01 g/mol
LogP10.06
Rot. Bonds3

About 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline

4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 126544188) has the molecular formula C35H19ClF4N4 and a molecular weight of 607.01 g/mol. Its IUPAC name is 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline
PubChem CID126544188
Molecular FormulaC35H19ClF4N4
Molecular Weight607.01 g/mol
Exact Mass606.12
IUPAC Name4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3cc(-n4cc(-c5ccc6cccc(Cl)c6n5)c5cc(F)c(F)c(F)c54)c4ccc(F)cc4n3)c[nH]c12
InChIInChI=1S/C35H19ClF4N4/c1-17-4-2-6-20-23(15-41-33(17)20)29-14-30(21-10-9-19(37)12-28(21)42-29)44-16-24(22-13-26(38)31(39)32(40)35(22)44)27-11-8-18-5-3-7-25(36)34(18)43-27/h2-16,41H,1H3
InChIKeyKYLWTDOKBAJMBU-UHFFFAOYSA-N
XLogP10.06
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.01
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline (CID 126544188) is 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline is Cc1cccc2c(-c3cc(-n4cc(-c5ccc6cccc(Cl)c6n5)c5cc(F)c(F)c(F)c54)c4ccc(F)cc4n3)c[nH]c12.
What is the InChIKey of 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline?
The InChIKey is KYLWTDOKBAJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19ClF4N4/c1-17-4-2-6-20-23(15-41-33(17)20)29-14-30(21-10-9-19(37)12-28(21)42-29)44-16-24(22-13-26(38)31(39)32(40)35(22)44)27-11-8-18-5-3-7-25(36)34(18)43-27/h2-16,41H,1H3.
What are the key properties of 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline?
4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 607.01 g/mol, XLogP of 10.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 126544188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).