6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine

C24H29N3O3 — CID 69016508

IUPAC6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine
SMILESCC(C)CCNc1ncnc2ccc(-c3cccc(OCCC4OCCO4)c3)cc12
InChIInChI=1S/C24H29N3O3/c1-17(2)8-10-25-24-21-15-19(6-7-22(21)26-16-27-24)18-4-3-5-20(14-18)28-11-9-23-29-12-13-30-23/h3-7,14-17,23H,8-13H2,1-2H3,(H,25,26,27)
InChIKeyCUORWDOJZCFFJM-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.90
Rot. Bonds9

About 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine

6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine (PubChem CID 69016508) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine
PubChem CID69016508
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine
SMILESCC(C)CCNc1ncnc2ccc(-c3cccc(OCCC4OCCO4)c3)cc12
InChIInChI=1S/C24H29N3O3/c1-17(2)8-10-25-24-21-15-19(6-7-22(21)26-16-27-24)18-4-3-5-20(14-18)28-11-9-23-29-12-13-30-23/h3-7,14-17,23H,8-13H2,1-2H3,(H,25,26,27)
InChIKeyCUORWDOJZCFFJM-UHFFFAOYSA-N
XLogP4.90
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The IUPAC name of 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine (CID 69016508) is 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine.
What is the SMILES notation for 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The canonical SMILES for 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine is CC(C)CCNc1ncnc2ccc(-c3cccc(OCCC4OCCO4)c3)cc12.
What is the InChIKey of 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The InChIKey is CUORWDOJZCFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)8-10-25-24-21-15-19(6-7-22(21)26-16-27-24)18-4-3-5-20(14-18)28-11-9-23-29-12-13-30-23/h3-7,14-17,23H,8-13H2,1-2H3,(H,25,26,27).
What are the key properties of 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine has a molecular weight of 407.51 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine is sourced from PubChem (CID 69016508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).