[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate

C22H18N2O2 — CID 166438790

IUPAC[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc2ccccc2c1-c1ncnc2ccccc12
InChIInChI=1S/C22H18N2O2/c1-14(26-15(2)25)17-12-11-16-7-3-4-8-18(16)21(17)22-19-9-5-6-10-20(19)23-13-24-22/h3-14H,1-2H3/t14-/m1/s1
InChIKeyRKIWFCIYQWVBCF-CQSZACIVSA-N
MW342.40 g/mol
LogP5.07
Rot. Bonds3

About [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate

[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate (PubChem CID 166438790) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate
PubChem CID166438790
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc2ccccc2c1-c1ncnc2ccccc12
InChIInChI=1S/C22H18N2O2/c1-14(26-15(2)25)17-12-11-16-7-3-4-8-18(16)21(17)22-19-9-5-6-10-20(19)23-13-24-22/h3-14H,1-2H3/t14-/m1/s1
InChIKeyRKIWFCIYQWVBCF-CQSZACIVSA-N
XLogP5.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate?
The IUPAC name of [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate (CID 166438790) is [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate is CC(=O)O[C@H](C)c1ccc2ccccc2c1-c1ncnc2ccccc12.
What is the InChIKey of [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate?
The InChIKey is RKIWFCIYQWVBCF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14(26-15(2)25)17-12-11-16-7-3-4-8-18(16)21(17)22-19-9-5-6-10-20(19)23-13-24-22/h3-14H,1-2H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate?
[(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate has a molecular weight of 342.40 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1-quinazolin-4-ylnaphthalen-2-yl)ethyl] acetate is sourced from PubChem (CID 166438790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).