2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide

C19H15FN6O2 — CID 122444924

IUPAC2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2nc(N)nc3c(-c4ncco4)cccc23)n1
InChIInChI=1S/C19H15FN6O2/c1-10-5-6-13(20)14(24-10)9-23-17(27)16-11-3-2-4-12(18-22-7-8-28-18)15(11)25-19(21)26-16/h2-8H,9H2,1H3,(H,23,27)(H2,21,25,26)
InChIKeyZFKLGDLHQUZBGF-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide

2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide (PubChem CID 122444924) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide
PubChem CID122444924
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2nc(N)nc3c(-c4ncco4)cccc23)n1
InChIInChI=1S/C19H15FN6O2/c1-10-5-6-13(20)14(24-10)9-23-17(27)16-11-3-2-4-12(18-22-7-8-28-18)15(11)25-19(21)26-16/h2-8H,9H2,1H3,(H,23,27)(H2,21,25,26)
InChIKeyZFKLGDLHQUZBGF-UHFFFAOYSA-N
XLogP2.64
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide (CID 122444924) is 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide is Cc1ccc(F)c(CNC(=O)c2nc(N)nc3c(-c4ncco4)cccc23)n1.
What is the InChIKey of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide?
The InChIKey is ZFKLGDLHQUZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-10-5-6-13(20)14(24-10)9-23-17(27)16-11-3-2-4-12(18-22-7-8-28-18)15(11)25-19(21)26-16/h2-8H,9H2,1H3,(H,23,27)(H2,21,25,26).
What are the key properties of 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide?
2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-6-methyl-2-pyridinyl)methyl]-8-(1,3-oxazol-2-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 122444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).