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

C20H21ClN4 — CID 90670038

IUPACN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C20H21ClN4/c1-20(2,10-22)11-23-19-17-13-5-3-4-6-15(13)24-18(17)14-9-12(21)7-8-16(14)25-19/h3-9,24H,10-11,22H2,1-2H3,(H,23,25)
InChIKeyOQZUNLCGDPMINI-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.92
Rot. Bonds4

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

N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 90670038) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
PubChem CID90670038
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C20H21ClN4/c1-20(2,10-22)11-23-19-17-13-5-3-4-6-15(13)24-18(17)14-9-12(21)7-8-16(14)25-19/h3-9,24H,10-11,22H2,1-2H3,(H,23,25)
InChIKeyOQZUNLCGDPMINI-UHFFFAOYSA-N
XLogP4.92
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine (CID 90670038) is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12.
What is the InChIKey of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is OQZUNLCGDPMINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-20(2,10-22)11-23-19-17-13-5-3-4-6-15(13)24-18(17)14-9-12(21)7-8-16(14)25-19/h3-9,24H,10-11,22H2,1-2H3,(H,23,25).
What are the key properties of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 90670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).