2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one

C22H28N2O3 — CID 54777554

IUPAC2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCOCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-26-14-15-27-18-12-10-17(11-13-18)22(4)23-20-9-7-6-8-19(20)21(25)24(22)16(2)3/h6-13,16,23H,5,14-15H2,1-4H3
InChIKeyPULBGMCTCLBUPX-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.25
Rot. Bonds7

About 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one

2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one (PubChem CID 54777554) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
PubChem CID54777554
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCOCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-26-14-15-27-18-12-10-17(11-13-18)22(4)23-20-9-7-6-8-19(20)21(25)24(22)16(2)3/h6-13,16,23H,5,14-15H2,1-4H3
InChIKeyPULBGMCTCLBUPX-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54779142
3-butan-2-yl-2-[3-(2-ethoxyethoxy)phenyl]-2-methyl-1H-quinazolin-4-one
CID 54779210
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
2-(3-butoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777854
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925
2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777902
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-benzyl-2-methyl-2-[4-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54779256
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one (CID 54777554) is 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one is CCOCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2C(C)C)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The InChIKey is PULBGMCTCLBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-26-14-15-27-18-12-10-17(11-13-18)22(4)23-20-9-7-6-8-19(20)21(25)24(22)16(2)3/h6-13,16,23H,5,14-15H2,1-4H3.
What are the key properties of 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one has a molecular weight of 368.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one is sourced from PubChem (CID 54777554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).