2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one

C19H25N3O3 — CID 94178972

IUPAC2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1
InChIInChI=1S/C19H25N3O3/c23-19-16-6-1-2-7-17(16)20-18(14-21-8-11-24-12-9-21)22(19)13-15-5-3-4-10-25-15/h1-2,6-7,15H,3-5,8-14H2/t15-/m0/s1
InChIKeySAAZOHXRDHNRLP-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.80
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one

2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one (PubChem CID 94178972) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
PubChem CID94178972
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1
InChIInChI=1S/C19H25N3O3/c23-19-16-6-1-2-7-17(16)20-18(14-21-8-11-24-12-9-21)22(19)13-15-5-3-4-10-25-15/h1-2,6-7,15H,3-5,8-14H2/t15-/m0/s1
InChIKeySAAZOHXRDHNRLP-HNNXBMFYSA-N
XLogP1.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 2417400
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-(naphthalen-1-ylmethylsulfanyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 42972856
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one (CID 94178972) is 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one is O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one?
The InChIKey is SAAZOHXRDHNRLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-19-16-6-1-2-7-17(16)20-18(14-21-8-11-24-12-9-21)22(19)13-15-5-3-4-10-25-15/h1-2,6-7,15H,3-5,8-14H2/t15-/m0/s1.
What are the key properties of 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one?
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 94178972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).