tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate

C20H22N2O3 — CID 15880523

IUPACtert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCC(C)(C)OC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-17-15-11-7-8-12-16(15)21-19(24)22(17)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H,21,24)
InChIKeyFMHIMJVFAPIFFA-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.51
Rot. Bonds3

About tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate

tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate (PubChem CID 15880523) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
PubChem CID15880523
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nametert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCC(C)(C)OC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-17-15-11-7-8-12-16(15)21-19(24)22(17)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H,21,24)
InChIKeyFMHIMJVFAPIFFA-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

86DF8H8Uwt
CID 135462545
Methyl 2-(3-(biphenyl-4-yl)-2-(5-(tert-butoxycarbonylamino)pentylamino)-3,4-dihydroquinazolin-4-yl)acetate
CID 135906464
methyl 2-[2-anilino-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-4H-quinazolin-4-yl]acetate
CID 25112129
methyl 2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]acetate
CID 25112354
Methyl 2-[2-(5-aminopentylimino)-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971402
Methyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylimino]-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971403
4-Methoxycarbonylmethyl-2-(1-piperidinyl)-3-phenyl-3,4-dihydroquinazoline
CID 15262444
Tert-butyl 3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenyl]propanoate
CID 172094479
2-(2-Oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetic acid
CID 12267402
Butyl 2-[3-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]acetate
CID 139224999
Methyl 2-[3-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]propanoate
CID 139225006
Butyl 2-(6-fluoro-3-phenyl-2-sulfanylidene-1,4-dihydroquinazolin-4-yl)acetate
CID 139225008

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The IUPAC name of tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate (CID 15880523) is tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate is CC(C)(C)OC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1.
What is the InChIKey of tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The InChIKey is FMHIMJVFAPIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-17-15-11-7-8-12-16(15)21-19(24)22(17)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate has a molecular weight of 338.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate is sourced from PubChem (CID 15880523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).