3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one

C15H21N3O2 — CID 101016156

IUPAC3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
SMILESCN(C)n1c(C(O)C(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,3)12(19)13-16-11-9-7-6-8-10(11)14(20)18(13)17(4)5/h6-9,12,19H,1-5H3
InChIKeyBNHTWOKADVXECL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.67
Rot. Bonds2

About 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one

3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one (PubChem CID 101016156) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
PubChem CID101016156
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
SMILESCN(C)n1c(C(O)C(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,3)12(19)13-16-11-9-7-6-8-10(11)14(20)18(13)17(4)5/h6-9,12,19H,1-5H3
InChIKeyBNHTWOKADVXECL-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]quinazolin-4-one
CID 101064428
3-[(tert-butyl-oxo-phenyl-λ6-sulfanylidene)amino]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]quinazolin-4-one
CID 56641808
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
3-[[(2S)-2-chlorobut-3-enyl]amino]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]quinazolin-4-one
CID 11232961
CID 164840749
CID 164840749
4-[3-(dimethylamino)-4-oxoquinazolin-2-yl]butanoic acid
CID 83022728
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
2-(1-chloroethyl)-3-(2,3,3-trimethylbutyl)quinazolin-4-one
CID 83145007
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
CID 23255846
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one?
The IUPAC name of 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one (CID 101016156) is 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one?
The canonical SMILES for 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one is CN(C)n1c(C(O)C(C)(C)C)nc2ccccc2c1=O.
What is the InChIKey of 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one?
The InChIKey is BNHTWOKADVXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)12(19)13-16-11-9-7-6-8-10(11)14(20)18(13)17(4)5/h6-9,12,19H,1-5H3.
What are the key properties of 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one?
3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one is sourced from PubChem (CID 101016156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).