2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

C17H23N3O2 — CID 135808114

IUPAC2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyUUBLCEOOXRWCEM-ZDUSSCGKSA-N
MW301.39 g/mol
LogP2.31
Rot. Bonds5

About 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135808114) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135808114
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyUUBLCEOOXRWCEM-ZDUSSCGKSA-N
XLogP2.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[1,3-benzoxazol-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135941862
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808115
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
CID 137154638
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(2S)-oxolan-2-yl]methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 136877404
3-(2-methylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789311
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
(2S)-2-(4-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891643
3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135715107

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (CID 135808114) is 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCCO1.
What is the InChIKey of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is UUBLCEOOXRWCEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 301.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).