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

C34H34N8O5 — CID 54765404

IUPAC2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide
SMILESC#CCNCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1
InChIInChI=1S/C34H34N8O5/c1-2-13-37-14-17-45-22-18-27(33(43)41-31-20-29(46-15-11-35)23-7-3-5-9-25(23)39-31)38-28(19-22)34(44)42-32-21-30(47-16-12-36)24-8-4-6-10-26(24)40-32/h1,3-10,18-21,37H,11-17,35-36H2,(H,39,41,43)(H,40,42,44)
InChIKeyOFUNOIAHVLGLNI-UHFFFAOYSA-N
MW634.70 g/mol
LogP2.96
Rot. Bonds15

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

2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide (PubChem CID 54765404) has the molecular formula C34H34N8O5 and a molecular weight of 634.70 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide
PubChem CID54765404
Molecular FormulaC34H34N8O5
Molecular Weight634.70 g/mol
Exact Mass634.27
IUPAC Name2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide
SMILESC#CCNCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1
InChIInChI=1S/C34H34N8O5/c1-2-13-37-14-17-45-22-18-27(33(43)41-31-20-29(46-15-11-35)23-7-3-5-9-25(23)39-31)38-28(19-22)34(44)42-32-21-30(47-16-12-36)24-8-4-6-10-26(24)40-32/h1,3-10,18-21,37H,11-17,35-36H2,(H,39,41,43)(H,40,42,44)
InChIKeyOFUNOIAHVLGLNI-UHFFFAOYSA-N
XLogP2.96
TPSA188.63 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.70
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide (CID 54765404) is 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide is C#CCNCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1.
What is the InChIKey of 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide?
The InChIKey is OFUNOIAHVLGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O5/c1-2-13-37-14-17-45-22-18-27(33(43)41-31-20-29(46-15-11-35)23-7-3-5-9-25(23)39-31)38-28(19-22)34(44)42-32-21-30(47-16-12-36)24-8-4-6-10-26(24)40-32/h1,3-10,18-21,37H,11-17,35-36H2,(H,39,41,43)(H,40,42,44).
What are the key properties of 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide has a molecular weight of 634.70 g/mol, XLogP of 2.96, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]-4-[2-(prop-2-ynylamino)ethoxy]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 54765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).