3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol

C14H18N2O — CID 63201598

IUPAC3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ncnc2ccccc12
InChIInChI=1S/C14H18N2O/c1-14(2,3)13(17)8-12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9,13,17H,8H2,1-3H3
InChIKeyICYVATUQAXCZNK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.58
Rot. Bonds2

About 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol

3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol (PubChem CID 63201598) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
PubChem CID63201598
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ncnc2ccccc12
InChIInChI=1S/C14H18N2O/c1-14(2,3)13(17)8-12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9,13,17H,8H2,1-3H3
InChIKeyICYVATUQAXCZNK-UHFFFAOYSA-N
XLogP2.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
N-(quinazolin-4-ylmethyl)aniline
CID 70295274
1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
CID 139893720
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
2,4,4-trimethyl-1-quinazolin-4-ylpentane-1,3-dione
CID 123966063
4-(nitromethyl)quinazoline
CID 119090204
1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol
CID 59678619
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
ethane;methanol;4-methylquinazoline
CID 91108480

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol (CID 63201598) is 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol is CC(C)(C)C(O)Cc1ncnc2ccccc12.
What is the InChIKey of 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol?
The InChIKey is ICYVATUQAXCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)13(17)8-12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9,13,17H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol?
3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol is sourced from PubChem (CID 63201598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).