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

C18H18FN5O2 — CID 122445000

IUPAC2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C18H18FN5O2/c1-10(2)26-14-8-3-5-11(22-14)9-21-17(25)16-12-6-4-7-13(19)15(12)23-18(20)24-16/h3-8,10H,9H2,1-2H3,(H,21,25)(H2,20,23,24)
InChIKeyRIARDWCERDHTRL-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.46
Rot. Bonds5

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

2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122445000) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122445000
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C18H18FN5O2/c1-10(2)26-14-8-3-5-11(22-14)9-21-17(25)16-12-6-4-7-13(19)15(12)23-18(20)24-16/h3-8,10H,9H2,1-2H3,(H,21,25)(H2,20,23,24)
InChIKeyRIARDWCERDHTRL-UHFFFAOYSA-N
XLogP2.46
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.46
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-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122445000) is 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is CC(C)Oc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1.
What is the InChIKey of 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is RIARDWCERDHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10(2)26-14-8-3-5-11(22-14)9-21-17(25)16-12-6-4-7-13(19)15(12)23-18(20)24-16/h3-8,10H,9H2,1-2H3,(H,21,25)(H2,20,23,24).
What are the key properties of 2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(6-propan-2-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.46, 5 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-yloxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122445000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).