3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one

C21H22N4O3 — CID 52975693

IUPAC3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2Cc2ccco2)o1
InChIInChI=1S/C21H22N4O3/c1-13-8-9-18(28-13)19-16(11-22-24-19)20-23-17-7-3-2-6-15(17)21(26)25(20)12-14-5-4-10-27-14/h2-10,16,19-20,22-24H,11-12H2,1H3
InChIKeyCRCDSNQAPYEQMJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.04
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 52975693) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
PubChem CID52975693
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2Cc2ccco2)o1
InChIInChI=1S/C21H22N4O3/c1-13-8-9-18(28-13)19-16(11-22-24-19)20-23-17-7-3-2-6-15(17)21(26)25(20)12-14-5-4-10-27-14/h2-10,16,19-20,22-24H,11-12H2,1H3
InChIKeyCRCDSNQAPYEQMJ-UHFFFAOYSA-N
XLogP3.04
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 75264030
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779725
3-(furan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780073
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
2-(furan-2-yl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 47105721
(2R)-2-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 40968052
(2S)-3-(furan-2-ylmethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408634

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (CID 52975693) is 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is Cc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2Cc2ccco2)o1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is CRCDSNQAPYEQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-8-9-18(28-13)19-16(11-22-24-19)20-23-17-7-3-2-6-15(17)21(26)25(20)12-14-5-4-10-27-14/h2-10,16,19-20,22-24H,11-12H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 52975693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).