N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine

C16H22N4O — CID 80807269

IUPACN-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
SMILESCCNc1nc(N2CCCOC(C)C2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-18-14-8-5-4-7-13(14)15(19-16)20-9-6-10-21-12(2)11-20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18,19)
InChIKeyBOQASVVIRZJGGD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine

N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine (PubChem CID 80807269) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
PubChem CID80807269
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
SMILESCCNc1nc(N2CCCOC(C)C2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-18-14-8-5-4-7-13(14)15(19-16)20-9-6-10-21-12(2)11-20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18,19)
InChIKeyBOQASVVIRZJGGD-UHFFFAOYSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
CID 80775981
4-[2-(difluoromethyl)quinazolin-4-yl]-2-methyl-1,4-oxazepane
CID 154836416
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine
CID 80772402
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine?
The IUPAC name of N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine (CID 80807269) is N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine is CCNc1nc(N2CCCOC(C)C2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine?
The InChIKey is BOQASVVIRZJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-16-18-14-8-5-4-7-13(14)15(19-16)20-9-6-10-21-12(2)11-20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine?
N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine is sourced from PubChem (CID 80807269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).