7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one

C15H13ClN4O — CID 155899146

IUPAC7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one
SMILESCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3
InChIKeyMOENMGQGTQAHPW-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.50
Rot. Bonds2

About 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one

7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one (PubChem CID 155899146) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one
PubChem CID155899146
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one
SMILESCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3
InChIKeyMOENMGQGTQAHPW-UHFFFAOYSA-N
XLogP2.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one?
The IUPAC name of 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one (CID 155899146) is 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one is CN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one?
The InChIKey is MOENMGQGTQAHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3.
What are the key properties of 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one?
7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(dimethylamino)-1-pyridin-3-ylquinazolin-2-one is sourced from PubChem (CID 155899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).