4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid

C19H12FN5O2 — CID 71151373

IUPAC4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12
InChIInChI=1S/C19H12FN5O2/c20-12-6-7-15(22-10-12)23-18-13-4-1-5-14(19(26)27)16(13)24-17(25-18)11-3-2-8-21-9-11/h1-10H,(H,26,27)(H,22,23,24,25)
InChIKeyFYZOQIQBMOXILS-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.67
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid

4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid (PubChem CID 71151373) has the molecular formula C19H12FN5O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
PubChem CID71151373
Molecular FormulaC19H12FN5O2
Molecular Weight361.34 g/mol
Exact Mass361.10
IUPAC Name4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12
InChIInChI=1S/C19H12FN5O2/c20-12-6-7-15(22-10-12)23-18-13-4-1-5-14(19(26)27)16(13)24-17(25-18)11-3-2-8-21-9-11/h1-10H,(H,26,27)(H,22,23,24,25)
InChIKeyFYZOQIQBMOXILS-UHFFFAOYSA-N
XLogP3.67
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid (CID 71151373) is 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid is O=C(O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid?
The InChIKey is FYZOQIQBMOXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2/c20-12-6-7-15(22-10-12)23-18-13-4-1-5-14(19(26)27)16(13)24-17(25-18)11-3-2-8-21-9-11/h1-10H,(H,26,27)(H,22,23,24,25).
What are the key properties of 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid?
4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid has a molecular weight of 361.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid is sourced from PubChem (CID 71151373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).