2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C13H13FN4O — CID 136741530

IUPAC2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccc(F)cn2)nc2c1CCCC2
InChIInChI=1S/C13H13FN4O/c14-8-5-6-11(15-7-8)17-13-16-10-4-2-1-3-9(10)12(19)18-13/h5-7H,1-4H2,(H2,15,16,17,18,19)
InChIKeyBJETYDMBPBUNGH-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.93
Rot. Bonds2

About 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136741530) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136741530
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccc(F)cn2)nc2c1CCCC2
InChIInChI=1S/C13H13FN4O/c14-8-5-6-11(15-7-8)17-13-16-10-4-2-1-3-9(10)12(19)18-13/h5-7H,1-4H2,(H2,15,16,17,18,19)
InChIKeyBJETYDMBPBUNGH-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136741530) is 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(Nc2ccc(F)cn2)nc2c1CCCC2.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is BJETYDMBPBUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-8-5-6-11(15-7-8)17-13-16-10-4-2-1-3-9(10)12(19)18-13/h5-7H,1-4H2,(H2,15,16,17,18,19).
What are the key properties of 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 260.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136741530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).