4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine

C18H25N3O — CID 58241121

IUPAC4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine
SMILESCc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C
InChIInChI=1S/C18H25N3O/c1-12-10-14-15(11-13(12)2)19-17(20-16(14)18(3,4)5)21-6-8-22-9-7-21/h10-11H,6-9H2,1-5H3
InChIKeyGHGIWTLAELPINQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.38
Rot. Bonds1

About 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine

4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine (PubChem CID 58241121) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine
PubChem CID58241121
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine
SMILESCc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C
InChIInChI=1S/C18H25N3O/c1-12-10-14-15(11-13(12)2)19-17(20-16(14)18(3,4)5)21-6-8-22-9-7-21/h10-11H,6-9H2,1-5H3
InChIKeyGHGIWTLAELPINQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine?
The IUPAC name of 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine (CID 58241121) is 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine is Cc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C.
What is the InChIKey of 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine?
The InChIKey is GHGIWTLAELPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-10-14-15(11-13(12)2)19-17(20-16(14)18(3,4)5)21-6-8-22-9-7-21/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine?
4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine has a molecular weight of 299.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine is sourced from PubChem (CID 58241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).