4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine

C30H39Cl2N5 — CID 118728383

IUPAC4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12
InChIInChI=1S/C30H39Cl2N5/c1-4-35(5-2)14-8-9-21(3)33-26-18-23(32)19-27-24(26)20-29-30(34-27)25-17-22(31)10-11-28(25)37(29)16-15-36-12-6-7-13-36/h10-11,17-21,33H,4-9,12-16H2,1-3H3
InChIKeyQBIHPELGIBUVTI-UHFFFAOYSA-N
MW540.58 g/mol
LogP7.67
Rot. Bonds11

About 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 118728383) has the molecular formula C30H39Cl2N5 and a molecular weight of 540.58 g/mol. Its IUPAC name is 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID118728383
Molecular FormulaC30H39Cl2N5
Molecular Weight540.58 g/mol
Exact Mass539.26
IUPAC Name4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12
InChIInChI=1S/C30H39Cl2N5/c1-4-35(5-2)14-8-9-21(3)33-26-18-23(32)19-27-24(26)20-29-30(34-27)25-17-22(31)10-11-28(25)37(29)16-15-36-12-6-7-13-36/h10-11,17-21,33H,4-9,12-16H2,1-3H3
InChIKeyQBIHPELGIBUVTI-UHFFFAOYSA-N
XLogP7.67
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 118728383) is 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12.
What is the InChIKey of 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is QBIHPELGIBUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39Cl2N5/c1-4-35(5-2)14-8-9-21(3)33-26-18-23(32)19-27-24(26)20-29-30(34-27)25-17-22(31)10-11-28(25)37(29)16-15-36-12-6-7-13-36/h10-11,17-21,33H,4-9,12-16H2,1-3H3.
What are the key properties of 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 540.58 g/mol, XLogP of 7.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3,7-dichloro-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 118728383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).