4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline

C20H22N2O2 — CID 46925825

IUPAC4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline
SMILESCCCOc1ccc(-c2nc(OC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N2O2/c1-4-13-23-16-11-9-15(10-12-16)19-21-18-8-6-5-7-17(18)20(22-19)24-14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyRRSRALWVEQKRTC-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.87
Rot. Bonds6

About 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline

4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline (PubChem CID 46925825) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline
PubChem CID46925825
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline
SMILESCCCOc1ccc(-c2nc(OC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N2O2/c1-4-13-23-16-11-9-15(10-12-16)19-21-18-8-6-5-7-17(18)20(22-19)24-14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyRRSRALWVEQKRTC-UHFFFAOYSA-N
XLogP4.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline?
The IUPAC name of 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline (CID 46925825) is 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline.
What is the SMILES notation for 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline?
The canonical SMILES for 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline is CCCOc1ccc(-c2nc(OC(C)C)c3ccccc3n2)cc1.
What is the InChIKey of 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline?
The InChIKey is RRSRALWVEQKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-13-23-16-11-9-15(10-12-16)19-21-18-8-6-5-7-17(18)20(22-19)24-14(2)3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline?
4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline has a molecular weight of 322.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline is sourced from PubChem (CID 46925825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).