8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline

C37H25ClF2N4 — CID 123666441

IUPAC8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline
SMILESCc1c(F)ccc2c(-c3ccc4ccc(Cc5ccc6ccc(-c7c[nH]c8c(C)c(F)ccc78)nc6c5Cl)cc4n3)c[nH]c12
InChIInChI=1S/C37H25ClF2N4/c1-19-29(39)11-9-25-27(17-41-35(19)25)31-13-7-22-4-3-21(16-33(22)43-31)15-24-6-5-23-8-14-32(44-37(23)34(24)38)28-18-42-36-20(2)30(40)12-10-26(28)36/h3-14,16-18,41-42H,15H2,1-2H3
InChIKeyBPBVURWVWPMZEV-UHFFFAOYSA-N
MW599.08 g/mol
LogP10.22
Rot. Bonds4

About 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline

8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline (PubChem CID 123666441) has the molecular formula C37H25ClF2N4 and a molecular weight of 599.08 g/mol. Its IUPAC name is 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline
PubChem CID123666441
Molecular FormulaC37H25ClF2N4
Molecular Weight599.08 g/mol
Exact Mass598.17
IUPAC Name8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline
SMILESCc1c(F)ccc2c(-c3ccc4ccc(Cc5ccc6ccc(-c7c[nH]c8c(C)c(F)ccc78)nc6c5Cl)cc4n3)c[nH]c12
InChIInChI=1S/C37H25ClF2N4/c1-19-29(39)11-9-25-27(17-41-35(19)25)31-13-7-22-4-3-21(16-33(22)43-31)15-24-6-5-23-8-14-32(44-37(23)34(24)38)28-18-42-36-20(2)30(40)12-10-26(28)36/h3-14,16-18,41-42H,15H2,1-2H3
InChIKeyBPBVURWVWPMZEV-UHFFFAOYSA-N
XLogP10.22
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.08
LogP ≤ 510.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline
CID 118449727
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
CID 118449830
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
8-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449909
[3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl][(1-methyl-1H-indol-7-yl)methyl]amine
CID 11855081
2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline
CID 118449843
N-[3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl]-N-[(1-methyl-1H-indol-7-yl)methyl]amine
CID 11854313
1H-Indole-7-methanamine, N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45271480
3-[4-(2-chlorophenyl)-6-(1H-indol-3-yl)-2-pyridinyl]-1H-indole
CID 137662203
4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline
CID 59631183
N-(1H-indol-6-ylmethyl)-3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]aniline
CID 66914180
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(1H-Indol-6-ylmethyl)Amine
CID 66914277

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline?
The IUPAC name of 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline (CID 123666441) is 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline.
What is the SMILES notation for 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline?
The canonical SMILES for 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline is Cc1c(F)ccc2c(-c3ccc4ccc(Cc5ccc6ccc(-c7c[nH]c8c(C)c(F)ccc78)nc6c5Cl)cc4n3)c[nH]c12.
What is the InChIKey of 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline?
The InChIKey is BPBVURWVWPMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25ClF2N4/c1-19-29(39)11-9-25-27(17-41-35(19)25)31-13-7-22-4-3-21(16-33(22)43-31)15-24-6-5-23-8-14-32(44-37(23)34(24)38)28-18-42-36-20(2)30(40)12-10-26(28)36/h3-14,16-18,41-42H,15H2,1-2H3.
What are the key properties of 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline?
8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline has a molecular weight of 599.08 g/mol, XLogP of 10.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-[[2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-7-yl]methyl]quinoline is sourced from PubChem (CID 123666441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).