2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one

C17H18N2O2 — CID 54779725

IUPAC2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
SMILESCC1(C2CC2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C17H18N2O2/c1-17(12-8-9-12)18-15-7-3-2-6-14(15)16(20)19(17)11-13-5-4-10-21-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyISCHINYLGHKHJB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one

2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54779725) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54779725
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
SMILESCC1(C2CC2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C17H18N2O2/c1-17(12-8-9-12)18-15-7-3-2-6-14(15)16(20)19(17)11-13-5-4-10-21-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyISCHINYLGHKHJB-UHFFFAOYSA-N
XLogP3.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688
3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
CID 54779759
3-(furan-2-ylmethyl)-2-methyl-2-[2-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780836
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
2-(furan-2-ylmethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
CID 51049324
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one (CID 54779725) is 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one is CC1(C2CC2)Nc2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is ISCHINYLGHKHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(12-8-9-12)18-15-7-3-2-6-14(15)16(20)19(17)11-13-5-4-10-21-13/h2-7,10,12,18H,8-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).