7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine

C24H38N6O2 — CID 122164616

IUPAC7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
SMILESCOc1cc2c(NCCCCCN3CCCC3)nc(N3CCCC3)nc2cc1OCCN
InChIInChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)
InChIKeyUEDAXBZCRLISHC-UHFFFAOYSA-N
MW442.61 g/mol
LogP3.25
Rot. Bonds12

About 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine

7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine (PubChem CID 122164616) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
PubChem CID122164616
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
SMILESCOc1cc2c(NCCCCCN3CCCC3)nc(N3CCCC3)nc2cc1OCCN
InChIInChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)
InChIKeyUEDAXBZCRLISHC-UHFFFAOYSA-N
XLogP3.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine?
The IUPAC name of 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine (CID 122164616) is 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine.
What is the SMILES notation for 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine?
The canonical SMILES for 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine is COc1cc2c(NCCCCCN3CCCC3)nc(N3CCCC3)nc2cc1OCCN.
What is the InChIKey of 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine?
The InChIKey is UEDAXBZCRLISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28).
What are the key properties of 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine?
7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine has a molecular weight of 442.61 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-6-methoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine is sourced from PubChem (CID 122164616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).