3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one

C16H15ClN4O — CID 134364823

IUPAC3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1
InChIInChI=1S/C16H15ClN4O/c1-2-4-14-20-12-6-3-5-11(17)15(12)16(22)21(14)10-7-8-13(18)19-9-10/h3,5-9H,2,4H2,1H3,(H2,18,19)
InChIKeyGYAJOVVWKVMFCB-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.97
Rot. Bonds3

About 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one

3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one (PubChem CID 134364823) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
PubChem CID134364823
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1
InChIInChI=1S/C16H15ClN4O/c1-2-4-14-20-12-6-3-5-11(17)15(12)16(22)21(14)10-7-8-13(18)19-9-10/h3,5-9H,2,4H2,1H3,(H2,18,19)
InChIKeyGYAJOVVWKVMFCB-UHFFFAOYSA-N
XLogP2.97
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one?
The IUPAC name of 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one (CID 134364823) is 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one is CCCc1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one?
The InChIKey is GYAJOVVWKVMFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-4-14-20-12-6-3-5-11(17)15(12)16(22)21(14)10-7-8-13(18)19-9-10/h3,5-9H,2,4H2,1H3,(H2,18,19).
What are the key properties of 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one?
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one has a molecular weight of 314.78 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one is sourced from PubChem (CID 134364823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).