2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one

C14H15N5O — CID 136870728

IUPAC2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one
SMILESCNCc1cn(Cc2nc3ccccc3c(=O)[nH]2)cn1
InChIInChI=1S/C14H15N5O/c1-15-6-10-7-19(9-16-10)8-13-17-12-5-3-2-4-11(12)14(20)18-13/h2-5,7,9,15H,6,8H2,1H3,(H,17,18,20)
InChIKeyHCRUPFKUNZDVKY-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.89
Rot. Bonds4

About 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one

2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 136870728) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID136870728
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one
SMILESCNCc1cn(Cc2nc3ccccc3c(=O)[nH]2)cn1
InChIInChI=1S/C14H15N5O/c1-15-6-10-7-19(9-16-10)8-13-17-12-5-3-2-4-11(12)14(20)18-13/h2-5,7,9,15H,6,8H2,1H3,(H,17,18,20)
InChIKeyHCRUPFKUNZDVKY-UHFFFAOYSA-N
XLogP0.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 135747657
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
CID 135570401
2-[(1-methylsulfinylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136931896
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135930616
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258
N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
CID 137210253

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one (CID 136870728) is 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one is CNCc1cn(Cc2nc3ccccc3c(=O)[nH]2)cn1.
What is the InChIKey of 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is HCRUPFKUNZDVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-15-6-10-7-19(9-16-10)8-13-17-12-5-3-2-4-11(12)14(20)18-13/h2-5,7,9,15H,6,8H2,1H3,(H,17,18,20).
What are the key properties of 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one?
2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 269.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136870728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).