4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide

C35H40N8O5 — CID 90466365

IUPAC4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCOc1cc(NC(=O)c2cc(OCCN)cc(C(=O)Nc3cc(OCCN(C)C)c4ccccc4n3)n2)nc2ccccc12
InChIInChI=1S/C35H40N8O5/c1-42(2)14-17-47-30-21-32(38-26-11-7-5-9-24(26)30)40-34(44)28-19-23(46-16-13-36)20-29(37-28)35(45)41-33-22-31(48-18-15-43(3)4)25-10-6-8-12-27(25)39-33/h5-12,19-22H,13-18,36H2,1-4H3,(H,38,40,44)(H,39,41,45)
InChIKeyHKYSQNSSWMSNTN-UHFFFAOYSA-N
MW652.76 g/mol
LogP3.90
Rot. Bonds15

About 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide

4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 90466365) has the molecular formula C35H40N8O5 and a molecular weight of 652.76 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide
PubChem CID90466365
Molecular FormulaC35H40N8O5
Molecular Weight652.76 g/mol
Exact Mass652.31
IUPAC Name4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCOc1cc(NC(=O)c2cc(OCCN)cc(C(=O)Nc3cc(OCCN(C)C)c4ccccc4n3)n2)nc2ccccc12
InChIInChI=1S/C35H40N8O5/c1-42(2)14-17-47-30-21-32(38-26-11-7-5-9-24(26)30)40-34(44)28-19-23(46-16-13-36)20-29(37-28)35(45)41-33-22-31(48-18-15-43(3)4)25-10-6-8-12-27(25)39-33/h5-12,19-22H,13-18,36H2,1-4H3,(H,38,40,44)(H,39,41,45)
InChIKeyHKYSQNSSWMSNTN-UHFFFAOYSA-N
XLogP3.90
TPSA157.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide (CID 90466365) is 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide is CN(C)CCOc1cc(NC(=O)c2cc(OCCN)cc(C(=O)Nc3cc(OCCN(C)C)c4ccccc4n3)n2)nc2ccccc12.
What is the InChIKey of 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is HKYSQNSSWMSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O5/c1-42(2)14-17-47-30-21-32(38-26-11-7-5-9-24(26)30)40-34(44)28-19-23(46-16-13-36)20-29(37-28)35(45)41-33-22-31(48-18-15-43(3)4)25-10-6-8-12-27(25)39-33/h5-12,19-22H,13-18,36H2,1-4H3,(H,38,40,44)(H,39,41,45).
What are the key properties of 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide?
4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 652.76 g/mol, XLogP of 3.90, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 90466365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).