2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine

C32H34N6O2 — CID 163196416

IUPAC2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(ccn2-c2ccc3ccc(-n4ccc5cc(OCCN(C)C)ccc54)nc3n2)c1
InChIInChI=1S/C32H34N6O2/c1-35(2)17-19-39-26-7-9-28-24(21-26)13-15-37(28)30-11-5-23-6-12-31(34-32(23)33-30)38-16-14-25-22-27(8-10-29(25)38)40-20-18-36(3)4/h5-16,21-22H,17-20H2,1-4H3
InChIKeyWOVLVLKGPJYIQJ-UHFFFAOYSA-N
MW534.66 g/mol
LogP5.40
Rot. Bonds10

About 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine

2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine (PubChem CID 163196416) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine
PubChem CID163196416
Molecular FormulaC32H34N6O2
Molecular Weight534.66 g/mol
Exact Mass534.27
IUPAC Name2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(ccn2-c2ccc3ccc(-n4ccc5cc(OCCN(C)C)ccc54)nc3n2)c1
InChIInChI=1S/C32H34N6O2/c1-35(2)17-19-39-26-7-9-28-24(21-26)13-15-37(28)30-11-5-23-6-12-31(34-32(23)33-30)38-16-14-25-22-27(8-10-29(25)38)40-20-18-36(3)4/h5-16,21-22H,17-20H2,1-4H3
InChIKeyWOVLVLKGPJYIQJ-UHFFFAOYSA-N
XLogP5.40
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine (CID 163196416) is 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(ccn2-c2ccc3ccc(-n4ccc5cc(OCCN(C)C)ccc54)nc3n2)c1.
What is the InChIKey of 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine?
The InChIKey is WOVLVLKGPJYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c1-35(2)17-19-39-26-7-9-28-24(21-26)13-15-37(28)30-11-5-23-6-12-31(34-32(23)33-30)38-16-14-25-22-27(8-10-29(25)38)40-20-18-36(3)4/h5-16,21-22H,17-20H2,1-4H3.
What are the key properties of 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine?
2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine has a molecular weight of 534.66 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 163196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).