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

C17H20N4O2 — CID 75264030

IUPAC3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C)o1
InChIInChI=1S/C17H20N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-13-6-4-3-5-11(13)17(22)21(16)2/h3-8,12,15-16,18-20H,9H2,1-2H3
InChIKeyBQUXCZIGMGZJNH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds2

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

3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 75264030) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
PubChem CID75264030
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C)o1
InChIInChI=1S/C17H20N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-13-6-4-3-5-11(13)17(22)21(16)2/h3-8,12,15-16,18-20H,9H2,1-2H3
InChIKeyBQUXCZIGMGZJNH-UHFFFAOYSA-N
XLogP1.88
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 52975693
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
(2R)-2-(5-methylfuran-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006914
3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 52975382
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035
2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
(2R,3S,5R,6S)-3,5-dimethyl-2,6-bis(5-methylfuran-2-yl)piperidin-4-one
CID 102160928
N-[2-[[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]methylamino]ethyl]-1-phenylmethanesulfonamide
CID 52986851
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
3-amino-2-methyl-1,2-dihydroquinazolin-4-one
CID 126639334
3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 47117586
4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one
CID 66104830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (CID 75264030) is 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is Cc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C)o1.
What is the InChIKey of 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is BQUXCZIGMGZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-13-6-4-3-5-11(13)17(22)21(16)2/h3-8,12,15-16,18-20H,9H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 75264030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).