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

C20H21ClN4 — CID 70686369

IUPACN-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C
InChIInChI=1S/C20H21ClN4/c1-24(2)11-10-22-19-15-12-13(21)8-9-16(15)23-20-18(19)14-6-4-5-7-17(14)25(20)3/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyHLESCDIYENMHOW-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.51
Rot. Bonds4

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

N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 70686369) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID70686369
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C
InChIInChI=1S/C20H21ClN4/c1-24(2)11-10-22-19-15-12-13(21)8-9-16(15)23-20-18(19)14-6-4-5-7-17(14)25(20)3/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyHLESCDIYENMHOW-UHFFFAOYSA-N
XLogP4.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine (CID 70686369) is N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C.
What is the InChIKey of N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HLESCDIYENMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-24(2)11-10-22-19-15-12-13(21)8-9-16(15)23-20-18(19)14-6-4-5-7-17(14)25(20)3/h4-9,12H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 70686369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).