2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine

C27H35ClN4O — CID 52942922

IUPAC2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2ccc(Cl)cc2nc2c3ccccc3n(CCN(CC)CC)c12
InChIInChI=1S/C27H35ClN4O/c1-5-30(6-2)15-16-32-24-12-10-9-11-22(24)25-26(32)27(33-18-17-31(7-3)8-4)21-14-13-20(28)19-23(21)29-25/h9-14,19H,5-8,15-18H2,1-4H3
InChIKeyWFSCAWNWSNBXNI-UHFFFAOYSA-N
MW467.06 g/mol
LogP6.06
Rot. Bonds11

About 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine

2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine (PubChem CID 52942922) has the molecular formula C27H35ClN4O and a molecular weight of 467.06 g/mol. Its IUPAC name is 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
PubChem CID52942922
Molecular FormulaC27H35ClN4O
Molecular Weight467.06 g/mol
Exact Mass466.25
IUPAC Name2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2ccc(Cl)cc2nc2c3ccccc3n(CCN(CC)CC)c12
InChIInChI=1S/C27H35ClN4O/c1-5-30(6-2)15-16-32-24-12-10-9-11-22(24)25-26(32)27(33-18-17-31(7-3)8-4)21-14-13-20(28)19-23(21)29-25/h9-14,19H,5-8,15-18H2,1-4H3
InChIKeyWFSCAWNWSNBXNI-UHFFFAOYSA-N
XLogP6.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.06
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine (CID 52942922) is 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine is CCN(CC)CCOc1c2ccc(Cl)cc2nc2c3ccccc3n(CCN(CC)CC)c12.
What is the InChIKey of 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The InChIKey is WFSCAWNWSNBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O/c1-5-30(6-2)15-16-32-24-12-10-9-11-22(24)25-26(32)27(33-18-17-31(7-3)8-4)21-14-13-20(28)19-23(21)29-25/h9-14,19H,5-8,15-18H2,1-4H3.
What are the key properties of 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine has a molecular weight of 467.06 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine is sourced from PubChem (CID 52942922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).