2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine

C16H19F2N3O2 — CID 133399873

IUPAC2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
SMILESCOC1(CNc2nc(C(F)F)nc3ccccc23)CCOCC1
InChIInChI=1S/C16H19F2N3O2/c1-22-16(6-8-23-9-7-16)10-19-14-11-4-2-3-5-12(11)20-15(21-14)13(17)18/h2-5,13H,6-10H2,1H3,(H,19,20,21)
InChIKeyNGRDBHJYHCZORD-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.17
Rot. Bonds5

About 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine

2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine (PubChem CID 133399873) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
PubChem CID133399873
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
SMILESCOC1(CNc2nc(C(F)F)nc3ccccc23)CCOCC1
InChIInChI=1S/C16H19F2N3O2/c1-22-16(6-8-23-9-7-16)10-19-14-11-4-2-3-5-12(11)20-15(21-14)13(17)18/h2-5,13H,6-10H2,1H3,(H,19,20,21)
InChIKeyNGRDBHJYHCZORD-UHFFFAOYSA-N
XLogP3.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine (CID 133399873) is 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine is COC1(CNc2nc(C(F)F)nc3ccccc23)CCOCC1.
What is the InChIKey of 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine?
The InChIKey is NGRDBHJYHCZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-22-16(6-8-23-9-7-16)10-19-14-11-4-2-3-5-12(11)20-15(21-14)13(17)18/h2-5,13H,6-10H2,1H3,(H,19,20,21).
What are the key properties of 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine has a molecular weight of 323.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133399873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).