3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline

C35H25BrN4 — CID 144941050

IUPAC3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline
SMILESBrc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H14N2.C17H11BrN2/c1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;18-15-6-3-5-13-14(10-20-17(13)15)12-8-11-4-1-2-7-16(11)19-9-12/h2-11,19H,1H3;1-10,20H
InChIKeyPVVIDXNRCYCLHQ-UHFFFAOYSA-N
MW581.52 g/mol
LogP9.84
Rot. Bonds2

About 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline

3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline (PubChem CID 144941050) has the molecular formula C35H25BrN4 and a molecular weight of 581.52 g/mol. Its IUPAC name is 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline.

Molecular Properties

Compound Name3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline
PubChem CID144941050
Molecular FormulaC35H25BrN4
Molecular Weight581.52 g/mol
Exact Mass580.13
IUPAC Name3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline
SMILESBrc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H14N2.C17H11BrN2/c1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;18-15-6-3-5-13-14(10-20-17(13)15)12-8-11-4-1-2-7-16(11)19-9-12/h2-11,19H,1H3;1-10,20H
InChIKeyPVVIDXNRCYCLHQ-UHFFFAOYSA-N
XLogP9.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.52
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
4'-(1H-indol-3-yl)-1'-methyl-1',4'-dihydro-2,3'-biquinoline
CID 3392688
Plakortamine C
CID 10393386
4-bromo-N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-N-propylaniline
CID 122191607
8-[4-[4-(5-bromo-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145961968
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
CID 14467479
5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 44556677
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449035
2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine
CID 10254385
5-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146974
18-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783702

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline?
The IUPAC name of 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline (CID 144941050) is 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline.
What is the SMILES notation for 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline?
The canonical SMILES for 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline is Brc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12.
What is the InChIKey of 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline?
The InChIKey is PVVIDXNRCYCLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.C17H11BrN2/c1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;18-15-6-3-5-13-14(10-20-17(13)15)12-8-11-4-1-2-7-16(11)19-9-12/h2-11,19H,1H3;1-10,20H.
What are the key properties of 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline?
3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline has a molecular weight of 581.52 g/mol, XLogP of 9.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline is sourced from PubChem (CID 144941050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).