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

C17H16FN5O2 — CID 122485353

IUPAC2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3nc(C)ccc3F)nc(N)nc12
InChIInChI=1S/C17H16FN5O2/c1-9-6-7-11(18)12(21-9)8-20-16(24)15-10-4-3-5-13(25-2)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)
InChIKeyCAQCVGLHZNMOBU-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.99
Rot. Bonds4

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

2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122485353) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122485353
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3nc(C)ccc3F)nc(N)nc12
InChIInChI=1S/C17H16FN5O2/c1-9-6-7-11(18)12(21-9)8-20-16(24)15-10-4-3-5-13(25-2)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)
InChIKeyCAQCVGLHZNMOBU-UHFFFAOYSA-N
XLogP1.99
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (CID 122485353) is 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3nc(C)ccc3F)nc(N)nc12.
What is the InChIKey of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is CAQCVGLHZNMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9-6-7-11(18)12(21-9)8-20-16(24)15-10-4-3-5-13(25-2)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23).
What are the key properties of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122485353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).