2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one

C15H19N3O2 — CID 136984258

IUPAC2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCC1(NCc2nc3ccccc3c(=O)[nH]2)CCOCC1
InChIInChI=1S/C15H19N3O2/c1-15(6-8-20-9-7-15)16-10-13-17-12-5-3-2-4-11(12)14(19)18-13/h2-5,16H,6-10H2,1H3,(H,17,18,19)
InChIKeyXSYLMQQMMFOHPN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds3

About 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one

2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 136984258) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID136984258
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCC1(NCc2nc3ccccc3c(=O)[nH]2)CCOCC1
InChIInChI=1S/C15H19N3O2/c1-15(6-8-20-9-7-15)16-10-13-17-12-5-3-2-4-11(12)14(19)18-13/h2-5,16H,6-10H2,1H3,(H,17,18,19)
InChIKeyXSYLMQQMMFOHPN-UHFFFAOYSA-N
XLogP1.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[(1-methylsulfanylcyclopentyl)methylamino]methyl]-3H-quinazolin-4-one
CID 136762570
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one
CID 137271007
2-[(1-methylsulfinylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136931896
2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
CID 136952939
2-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135600134
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
CID 137210253
2-[[3-(2-methylpropoxy)propylamino]methyl]-3H-quinazolin-4-one
CID 136818965
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
CID 154764510

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one (CID 136984258) is 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one is CC1(NCc2nc3ccccc3c(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is XSYLMQQMMFOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(6-8-20-9-7-15)16-10-13-17-12-5-3-2-4-11(12)14(19)18-13/h2-5,16H,6-10H2,1H3,(H,17,18,19).
What are the key properties of 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136984258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).