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

C19H20FN5O2 — CID 134132656

IUPAC2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C19H20FN5O2/c1-11(2)27-10-13-6-3-5-12(23-13)9-22-18(26)17-14-7-4-8-15(20)16(14)24-19(21)25-17/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyGWKXOGQGYRPLDL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.60
Rot. Bonds6

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

2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 134132656) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID134132656
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C19H20FN5O2/c1-11(2)27-10-13-6-3-5-12(23-13)9-22-18(26)17-14-7-4-8-15(20)16(14)24-19(21)25-17/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyGWKXOGQGYRPLDL-UHFFFAOYSA-N
XLogP2.60
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 134132656) is 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is CC(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1.
What is the InChIKey of 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is GWKXOGQGYRPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11(2)27-10-13-6-3-5-12(23-13)9-22-18(26)17-14-7-4-8-15(20)16(14)24-19(21)25-17/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 134132656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).