2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one

C32H32N2O2 — CID 54780506

IUPAC2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCCC1(c2ccc(OCCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C32H32N2O2/c1-2-32(27-17-19-28(20-18-27)36-24-22-26-13-7-4-8-14-26)33-30-16-10-9-15-29(30)31(35)34(32)23-21-25-11-5-3-6-12-25/h3-20,33H,2,21-24H2,1H3
InChIKeyWIGJLAJEKXAGGL-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.68
Rot. Bonds9

About 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one

2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one (PubChem CID 54780506) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
PubChem CID54780506
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCCC1(c2ccc(OCCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C32H32N2O2/c1-2-32(27-17-19-28(20-18-27)36-24-22-26-13-7-4-8-14-26)33-30-16-10-9-15-29(30)31(35)34(32)23-21-25-11-5-3-6-12-25/h3-20,33H,2,21-24H2,1H3
InChIKeyWIGJLAJEKXAGGL-UHFFFAOYSA-N
XLogP6.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577
2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
CID 54780497
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54780551
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2,3-diethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780558
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925
2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one?
The IUPAC name of 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one (CID 54780506) is 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one is CCC1(c2ccc(OCCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one?
The InChIKey is WIGJLAJEKXAGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-2-32(27-17-19-28(20-18-27)36-24-22-26-13-7-4-8-14-26)33-30-16-10-9-15-29(30)31(35)34(32)23-21-25-11-5-3-6-12-25/h3-20,33H,2,21-24H2,1H3.
What are the key properties of 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one?
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one has a molecular weight of 476.62 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54780506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).