2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

C16H13F2N5O — CID 122444994

IUPAC2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C16H13F2N5O/c1-8-5-6-10(17)12(21-8)7-20-15(24)14-9-3-2-4-11(18)13(9)22-16(19)23-14/h2-6H,7H2,1H3,(H,20,24)(H2,19,22,23)
InChIKeyXUOQQYOPHXXBLN-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122444994) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122444994
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C16H13F2N5O/c1-8-5-6-10(17)12(21-8)7-20-15(24)14-9-3-2-4-11(18)13(9)22-16(19)23-14/h2-6H,7H2,1H3,(H,20,24)(H2,19,22,23)
InChIKeyXUOQQYOPHXXBLN-UHFFFAOYSA-N
XLogP2.12
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122444994) is 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is Cc1ccc(F)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1.
What is the InChIKey of 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is XUOQQYOPHXXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-8-5-6-10(17)12(21-8)7-20-15(24)14-9-3-2-4-11(18)13(9)22-16(19)23-14/h2-6H,7H2,1H3,(H,20,24)(H2,19,22,23).
What are the key properties of 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).