N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine

C19H19ClN4 — CID 42637593

IUPACN-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C19H19ClN4/c1-24(2)10-9-21-18-14-11-12(20)7-8-16(14)23-19-17(18)13-5-3-4-6-15(13)22-19/h3-8,11H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyJNKFGADRRJRNOE-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.50
Rot. Bonds4

About N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine

N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 42637593) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID42637593
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C19H19ClN4/c1-24(2)10-9-21-18-14-11-12(20)7-8-16(14)23-19-17(18)13-5-3-4-6-15(13)22-19/h3-8,11H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyJNKFGADRRJRNOE-UHFFFAOYSA-N
XLogP4.50
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine (CID 42637593) is N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12.
What is the InChIKey of N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JNKFGADRRJRNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-24(2)10-9-21-18-14-11-12(20)7-8-16(14)23-19-17(18)13-5-3-4-6-15(13)22-19/h3-8,11H,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 42637593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).