2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline

C35H26N4 — CID 144941135

IUPAC2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.c1ccc2nc(-c3c[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C18H14N2.C17H12N2/c1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17;1-3-7-15-12(5-1)9-10-17(19-15)14-11-18-16-8-4-2-6-13(14)16/h2-11,19H,1H3;1-11,18H
InChIKeyGMACJVLNYNSTAL-UHFFFAOYSA-N
MW502.62 g/mol
LogP9.07
Rot. Bonds2

About 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline

2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 144941135) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
PubChem CID144941135
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.c1ccc2nc(-c3c[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C18H14N2.C17H12N2/c1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17;1-3-7-15-12(5-1)9-10-17(19-15)14-11-18-16-8-4-2-6-13(14)16/h2-11,19H,1H3;1-11,18H
InChIKeyGMACJVLNYNSTAL-UHFFFAOYSA-N
XLogP9.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline (CID 144941135) is 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline is Cc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.c1ccc2nc(-c3c[nH]c4ccccc34)ccc2c1.
What is the InChIKey of 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline?
The InChIKey is GMACJVLNYNSTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.C17H12N2/c1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17;1-3-7-15-12(5-1)9-10-17(19-15)14-11-18-16-8-4-2-6-13(14)16/h2-11,19H,1H3;1-11,18H.
What are the key properties of 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline?
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 502.62 g/mol, XLogP of 9.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 144941135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).