2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine

C26H21ClN4 — CID 70684228

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine
SMILESCn1c2ccccc2c2c(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3nc21
InChIInChI=1S/C26H21ClN4/c1-31-23-9-5-3-7-19(23)24-25(20-14-17(27)10-11-22(20)30-26(24)31)28-13-12-16-15-29-21-8-4-2-6-18(16)21/h2-11,14-15,29H,12-13H2,1H3,(H,28,30)
InChIKeyGRNINQJFXJOVEL-UHFFFAOYSA-N
MW424.94 g/mol
LogP6.67
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine (PubChem CID 70684228) has the molecular formula C26H21ClN4 and a molecular weight of 424.94 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine
PubChem CID70684228
Molecular FormulaC26H21ClN4
Molecular Weight424.94 g/mol
Exact Mass424.15
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine
SMILESCn1c2ccccc2c2c(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3nc21
InChIInChI=1S/C26H21ClN4/c1-31-23-9-5-3-7-19(23)24-25(20-14-17(27)10-11-22(20)30-26(24)31)28-13-12-16-15-29-21-8-4-2-6-18(16)21/h2-11,14-15,29H,12-13H2,1H3,(H,28,30)
InChIKeyGRNINQJFXJOVEL-UHFFFAOYSA-N
XLogP6.67
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.94
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine (CID 70684228) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine is Cn1c2ccccc2c2c(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3nc21.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine?
The InChIKey is GRNINQJFXJOVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4/c1-31-23-9-5-3-7-19(23)24-25(20-14-17(27)10-11-22(20)30-26(24)31)28-13-12-16-15-29-21-8-4-2-6-18(16)21/h2-11,14-15,29H,12-13H2,1H3,(H,28,30).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine has a molecular weight of 424.94 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 70684228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).