tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate

C19H18N2O3 — CID 84819280

IUPACtert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(=O)nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-19(2,3)24-18(23)21-15-12-8-7-11-14(15)16(20-17(21)22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyUFDBWUBWOFVMQV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.85
Rot. Bonds1

About tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate

tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate (PubChem CID 84819280) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
PubChem CID84819280
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nametert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(=O)nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-19(2,3)24-18(23)21-15-12-8-7-11-14(15)16(20-17(21)22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyUFDBWUBWOFVMQV-UHFFFAOYSA-N
XLogP3.85
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate?
The IUPAC name of tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate (CID 84819280) is tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate is CC(C)(C)OC(=O)n1c(=O)nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate?
The InChIKey is UFDBWUBWOFVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-19(2,3)24-18(23)21-15-12-8-7-11-14(15)16(20-17(21)22)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate?
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate is sourced from PubChem (CID 84819280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).