2-(oxan-2-ylmethyl)quinazoline

C14H16N2O — CID 123458550

IUPAC2-(oxan-2-ylmethyl)quinazoline
SMILESc1ccc2nc(CC3CCCCO3)ncc2c1
InChIInChI=1S/C14H16N2O/c1-2-7-13-11(5-1)10-15-14(16-13)9-12-6-3-4-8-17-12/h1-2,5,7,10,12H,3-4,6,8-9H2
InChIKeyIUUUUNHPNMSBTM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.74
Rot. Bonds2

About 2-(oxan-2-ylmethyl)quinazoline

2-(oxan-2-ylmethyl)quinazoline (PubChem CID 123458550) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)quinazoline.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)quinazoline
PubChem CID123458550
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(oxan-2-ylmethyl)quinazoline
SMILESc1ccc2nc(CC3CCCCO3)ncc2c1
InChIInChI=1S/C14H16N2O/c1-2-7-13-11(5-1)10-15-14(16-13)9-12-6-3-4-8-17-12/h1-2,5,7,10,12H,3-4,6,8-9H2
InChIKeyIUUUUNHPNMSBTM-UHFFFAOYSA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
2-benzyloxepane
CID 14272917
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
CID 88543668
CID 88543668
2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
CID 66460957
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132162

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)quinazoline?
The IUPAC name of 2-(oxan-2-ylmethyl)quinazoline (CID 123458550) is 2-(oxan-2-ylmethyl)quinazoline.
What is the SMILES notation for 2-(oxan-2-ylmethyl)quinazoline?
The canonical SMILES for 2-(oxan-2-ylmethyl)quinazoline is c1ccc2nc(CC3CCCCO3)ncc2c1.
What is the InChIKey of 2-(oxan-2-ylmethyl)quinazoline?
The InChIKey is IUUUUNHPNMSBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-7-13-11(5-1)10-15-14(16-13)9-12-6-3-4-8-17-12/h1-2,5,7,10,12H,3-4,6,8-9H2.
What are the key properties of 2-(oxan-2-ylmethyl)quinazoline?
2-(oxan-2-ylmethyl)quinazoline has a molecular weight of 228.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)quinazoline is sourced from PubChem (CID 123458550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).