2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one

C24H24N4O2 — CID 137187410

IUPAC2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
SMILESCC1(C)C(Cc2nc3ccccc3c(=O)[nH]2)CC1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H24N4O2/c1-24(2)14(12-20-25-18-9-5-3-7-16(18)22(29)27-20)11-15(24)13-21-26-19-10-6-4-8-17(19)23(30)28-21/h3-10,14-15H,11-13H2,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyWDFRLJUTLCRCCN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.61
Rot. Bonds4

About 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one

2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one (PubChem CID 137187410) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
PubChem CID137187410
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
SMILESCC1(C)C(Cc2nc3ccccc3c(=O)[nH]2)CC1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H24N4O2/c1-24(2)14(12-20-25-18-9-5-3-7-16(18)22(29)27-20)11-15(24)13-21-26-19-10-6-4-8-17(19)23(30)28-21/h3-10,14-15H,11-13H2,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyWDFRLJUTLCRCCN-UHFFFAOYSA-N
XLogP3.61
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258
trans-(1S,3R)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropane-1-carboxamide
CID 135907141
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[3-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,2-dimethylcyclobutyl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 170908468
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
(4R)-N-methyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 137065770
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one (CID 137187410) is 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one is CC1(C)C(Cc2nc3ccccc3c(=O)[nH]2)CC1Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one?
The InChIKey is WDFRLJUTLCRCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2)14(12-20-25-18-9-5-3-7-16(18)22(29)27-20)11-15(24)13-21-26-19-10-6-4-8-17(19)23(30)28-21/h3-10,14-15H,11-13H2,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one?
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137187410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).