4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline

C27H21N3 — CID 3392688

IUPAC4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline
SMILESCN1C=C(c2ccc3ccccc3n2)C(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H21N3/c1-30-17-22(25-15-14-18-8-2-5-11-23(18)29-25)27(20-10-4-7-13-26(20)30)21-16-28-24-12-6-3-9-19(21)24/h2-17,27-28H,1H3
InChIKeyNUSKKJAEDSKKNC-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.34
Rot. Bonds2

About 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline

4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline (PubChem CID 3392688) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline
PubChem CID3392688
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline
SMILESCN1C=C(c2ccc3ccccc3n2)C(c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H21N3/c1-30-17-22(25-15-14-18-8-2-5-11-23(18)29-25)27(20-10-4-7-13-26(20)30)21-16-28-24-12-6-3-9-19(21)24/h2-17,27-28H,1H3
InChIKeyNUSKKJAEDSKKNC-UHFFFAOYSA-N
XLogP6.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline?
The IUPAC name of 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline (CID 3392688) is 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline?
The canonical SMILES for 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline is CN1C=C(c2ccc3ccccc3n2)C(c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline?
The InChIKey is NUSKKJAEDSKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-30-17-22(25-15-14-18-8-2-5-11-23(18)29-25)27(20-10-4-7-13-26(20)30)21-16-28-24-12-6-3-9-19(21)24/h2-17,27-28H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline?
4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline has a molecular weight of 387.49 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-methyl-3-quinolin-2-yl-4H-quinoline is sourced from PubChem (CID 3392688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).