6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one

C16H14F2N4O — CID 155747852

IUPAC6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one
SMILESCc1ncc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F
InChIInChI=1S/C16H14F2N4O/c1-8-11(21-15-10(17)6-19-9(2)14(15)18)4-5-12-13(8)16(23)22(3)7-20-12/h4-7H,1-3H3,(H,19,21)
InChIKeyRBPGFTAQEVHUKP-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.97
Rot. Bonds2

About 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one

6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one (PubChem CID 155747852) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one.

Molecular Properties

Compound Name6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one
PubChem CID155747852
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one
SMILESCc1ncc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F
InChIInChI=1S/C16H14F2N4O/c1-8-11(21-15-10(17)6-19-9(2)14(15)18)4-5-12-13(8)16(23)22(3)7-20-12/h4-7H,1-3H3,(H,19,21)
InChIKeyRBPGFTAQEVHUKP-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one?
The IUPAC name of 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one (CID 155747852) is 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one.
What is the SMILES notation for 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one?
The canonical SMILES for 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one is Cc1ncc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F.
What is the InChIKey of 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one?
The InChIKey is RBPGFTAQEVHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-8-11(21-15-10(17)6-19-9(2)14(15)18)4-5-12-13(8)16(23)22(3)7-20-12/h4-7H,1-3H3,(H,19,21).
What are the key properties of 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one?
6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluoro-2-methyl-4-pyridinyl)amino]-3,5-dimethylquinazolin-4-one is sourced from PubChem (CID 155747852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).