2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

C14H19F2N3O — CID 126768653

IUPAC2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCOC(C(F)F)C3)n1)CCCC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3
InChIKeyAQGIZPQDLCJODI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.13
Rot. Bonds2

About 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (PubChem CID 126768653) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
PubChem CID126768653
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCOC(C(F)F)C3)n1)CCCC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3
InChIKeyAQGIZPQDLCJODI-UHFFFAOYSA-N
XLogP2.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The IUPAC name of 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (CID 126768653) is 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The canonical SMILES for 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is Cc1nc2c(c(N3CCOC(C(F)F)C3)n1)CCCC2.
What is the InChIKey of 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The InChIKey is AQGIZPQDLCJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine has a molecular weight of 283.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is sourced from PubChem (CID 126768653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).