4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine

C25H31ClN4 — CID 70684227

IUPAC4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C
InChIInChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-21(20)28-25-23(24)19-11-7-8-12-22(19)29(25)4/h7-8,11-14,16-17H,5-6,9-10,15H2,1-4H3,(H,27,28)
InChIKeyADXRPHWEPZSVMV-UHFFFAOYSA-N
MW423.00 g/mol
LogP6.46
Rot. Bonds8

About 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 70684227) has the molecular formula C25H31ClN4 and a molecular weight of 423.00 g/mol. Its IUPAC name is 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID70684227
Molecular FormulaC25H31ClN4
Molecular Weight423.00 g/mol
Exact Mass422.22
IUPAC Name4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C
InChIInChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-21(20)28-25-23(24)19-11-7-8-12-22(19)29(25)4/h7-8,11-14,16-17H,5-6,9-10,15H2,1-4H3,(H,27,28)
InChIKeyADXRPHWEPZSVMV-UHFFFAOYSA-N
XLogP6.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 70684227) is 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C.
What is the InChIKey of 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is ADXRPHWEPZSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-21(20)28-25-23(24)19-11-7-8-12-22(19)29(25)4/h7-8,11-14,16-17H,5-6,9-10,15H2,1-4H3,(H,27,28).
What are the key properties of 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 423.00 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 70684227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).