N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine

C27H33Cl2N5 — CID 118728378

IUPACN-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12
InChIInChI=1S/C27H33Cl2N5/c1-3-32(4-2)12-9-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)7-8-25(22)34(26)14-13-33-10-5-6-11-33/h7-8,15-18,30H,3-6,9-14H2,1-2H3
InChIKeyJUQYQVICILJOBZ-UHFFFAOYSA-N
MW498.50 g/mol
LogP6.50
Rot. Bonds9

About N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine

N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 118728378) has the molecular formula C27H33Cl2N5 and a molecular weight of 498.50 g/mol. Its IUPAC name is N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID118728378
Molecular FormulaC27H33Cl2N5
Molecular Weight498.50 g/mol
Exact Mass497.21
IUPAC NameN-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12
InChIInChI=1S/C27H33Cl2N5/c1-3-32(4-2)12-9-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)7-8-25(22)34(26)14-13-33-10-5-6-11-33/h7-8,15-18,30H,3-6,9-14H2,1-2H3
InChIKeyJUQYQVICILJOBZ-UHFFFAOYSA-N
XLogP6.50
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.50
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine (CID 118728378) is N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12.
What is the InChIKey of N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is JUQYQVICILJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N5/c1-3-32(4-2)12-9-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)7-8-25(22)34(26)14-13-33-10-5-6-11-33/h7-8,15-18,30H,3-6,9-14H2,1-2H3.
What are the key properties of N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine?
N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 498.50 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 118728378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).