2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine

C16H21N3O — CID 37403956

IUPAC2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine
SMILESCc1nc(CN2CCOC(C)(C)C2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-13-6-4-5-7-14(13)18-15(17-12)10-19-8-9-20-16(2,3)11-19/h4-7H,8-11H2,1-3H3
InChIKeyDNKJEESEUZFXCE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds2

About 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine

2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine (PubChem CID 37403956) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine
PubChem CID37403956
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine
SMILESCc1nc(CN2CCOC(C)(C)C2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-13-6-4-5-7-14(13)18-15(17-12)10-19-8-9-20-16(2,3)11-19/h4-7H,8-11H2,1-3H3
InChIKeyDNKJEESEUZFXCE-UHFFFAOYSA-N
XLogP2.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine (CID 37403956) is 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine is Cc1nc(CN2CCOC(C)(C)C2)nc2ccccc12.
What is the InChIKey of 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine?
The InChIKey is DNKJEESEUZFXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-13-6-4-5-7-14(13)18-15(17-12)10-19-8-9-20-16(2,3)11-19/h4-7H,8-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine?
2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine is sourced from PubChem (CID 37403956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).