4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline

C17H22N4O — CID 167214822

IUPAC4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline
SMILESCOc1nc(N2CC3CCC(C2)N3)c2ccc(C)c(C)c2n1
InChIInChI=1S/C17H22N4O/c1-10-4-7-14-15(11(10)2)19-17(22-3)20-16(14)21-8-12-5-6-13(9-21)18-12/h4,7,12-13,18H,5-6,8-9H2,1-3H3
InChIKeyNOFZSVSGRWYAGQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.20
Rot. Bonds2

About 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline (PubChem CID 167214822) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline.

Molecular Properties

Compound Name4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline
PubChem CID167214822
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline
SMILESCOc1nc(N2CC3CCC(C2)N3)c2ccc(C)c(C)c2n1
InChIInChI=1S/C17H22N4O/c1-10-4-7-14-15(11(10)2)19-17(22-3)20-16(14)21-8-12-5-6-13(9-21)18-12/h4,7,12-13,18H,5-6,8-9H2,1-3H3
InChIKeyNOFZSVSGRWYAGQ-UHFFFAOYSA-N
XLogP2.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline?
The IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline (CID 167214822) is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline.
What is the SMILES notation for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline?
The canonical SMILES for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline is COc1nc(N2CC3CCC(C2)N3)c2ccc(C)c(C)c2n1.
What is the InChIKey of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline?
The InChIKey is NOFZSVSGRWYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-10-4-7-14-15(11(10)2)19-17(22-3)20-16(14)21-8-12-5-6-13(9-21)18-12/h4,7,12-13,18H,5-6,8-9H2,1-3H3.
What are the key properties of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline?
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline has a molecular weight of 298.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-7,8-dimethylquinazoline is sourced from PubChem (CID 167214822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).