4-[methyl(quinazolin-4-yl)amino]butan-2-ol

C13H17N3O — CID 115658266

IUPAC4-[methyl(quinazolin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(17)7-8-16(2)13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyBJZGQNQLGVXWOK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds4

About 4-[methyl(quinazolin-4-yl)amino]butan-2-ol

4-[methyl(quinazolin-4-yl)amino]butan-2-ol (PubChem CID 115658266) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[methyl(quinazolin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(quinazolin-4-yl)amino]butan-2-ol
PubChem CID115658266
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[methyl(quinazolin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(17)7-8-16(2)13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyBJZGQNQLGVXWOK-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 62593023
4-[2-[methyl(quinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 56840778
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(quinazolin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(quinazolin-4-yl)amino]butan-2-ol (CID 115658266) is 4-[methyl(quinazolin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(quinazolin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(quinazolin-4-yl)amino]butan-2-ol is CC(O)CCN(C)c1ncnc2ccccc12.
What is the InChIKey of 4-[methyl(quinazolin-4-yl)amino]butan-2-ol?
The InChIKey is BJZGQNQLGVXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)7-8-16(2)13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 4-[methyl(quinazolin-4-yl)amino]butan-2-ol?
4-[methyl(quinazolin-4-yl)amino]butan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(quinazolin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 115658266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).