2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one

C19H25N3O3 — CID 136790933

IUPAC2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(OC[C@H]3CCCCO3)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O3/c23-18-16-6-1-2-7-17(16)20-19(21-18)22-10-8-14(9-11-22)25-13-15-5-3-4-12-24-15/h1-2,6-7,14-15H,3-5,8-13H2,(H,20,21,23)/t15-/m1/s1
InChIKeyGMQMBOBASRWYRC-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one

2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one (PubChem CID 136790933) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
PubChem CID136790933
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(OC[C@H]3CCCCO3)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O3/c23-18-16-6-1-2-7-17(16)20-19(21-18)22-10-8-14(9-11-22)25-13-15-5-3-4-12-24-15/h1-2,6-7,14-15H,3-5,8-13H2,(H,20,21,23)/t15-/m1/s1
InChIKeyGMQMBOBASRWYRC-OAHLLOKOSA-N
XLogP2.48
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808115
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300052
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one (CID 136790933) is 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(N2CCC(OC[C@H]3CCCCO3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is GMQMBOBASRWYRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18-16-6-1-2-7-17(16)20-19(21-18)22-10-8-14(9-11-22)25-13-15-5-3-4-12-24-15/h1-2,6-7,14-15H,3-5,8-13H2,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one?
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136790933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).