3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one

C22H22N2O2 — CID 54779759

IUPAC3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
SMILESCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C22H22N2O2/c1-2-14-22(17-9-4-3-5-10-17)23-20-13-7-6-12-19(20)21(25)24(22)16-18-11-8-15-26-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyFIPCRCUXWUUUHM-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.00
Rot. Bonds5

About 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one

3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one (PubChem CID 54779759) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
PubChem CID54779759
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
SMILESCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C22H22N2O2/c1-2-14-22(17-9-4-3-5-10-17)23-20-13-7-6-12-19(20)21(25)24(22)16-18-11-8-15-26-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyFIPCRCUXWUUUHM-UHFFFAOYSA-N
XLogP5.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779725
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 29109792
3-(furan-2-ylmethyl)-2-methyl-2-[2-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780836
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688
2-(furan-2-ylmethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
CID 51049324
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one (CID 54779759) is 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one is CCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one?
The InChIKey is FIPCRCUXWUUUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-14-22(17-9-4-3-5-10-17)23-20-13-7-6-12-19(20)21(25)24(22)16-18-11-8-15-26-18/h3-13,15,23H,2,14,16H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one?
3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one has a molecular weight of 346.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).