2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid

C18H17BrN2O2 — CID 2406906

IUPAC2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid
SMILESCCC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)O
InChIInChI=1S/C18H17BrN2O2/c1-2-16-20-15-9-8-13(19)10-14(15)18(21(16)11-17(22)23)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyRLFYHRKTMLXCCC-GOSISDBHSA-N
MW373.25 g/mol
LogP4.38
Rot. Bonds4

About 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid

2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid (PubChem CID 2406906) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid
PubChem CID2406906
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid
SMILESCCC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)O
InChIInChI=1S/C18H17BrN2O2/c1-2-16-20-15-9-8-13(19)10-14(15)18(21(16)11-17(22)23)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyRLFYHRKTMLXCCC-GOSISDBHSA-N
XLogP4.38
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid?
The IUPAC name of 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid (CID 2406906) is 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid?
The canonical SMILES for 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid is CCC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)O.
What is the InChIKey of 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid?
The InChIKey is RLFYHRKTMLXCCC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-16-20-15-9-8-13(19)10-14(15)18(21(16)11-17(22)23)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid?
2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid has a molecular weight of 373.25 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid is sourced from PubChem (CID 2406906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).