2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one

C22H19ClN4O — CID 141476320

IUPAC2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one
SMILESCc1cc(Cl)cc2c(=O)n(C)c(-c3cccnc3NCc3ccccc3)nc12
InChIInChI=1S/C22H19ClN4O/c1-14-11-16(23)12-18-19(14)26-21(27(2)22(18)28)17-9-6-10-24-20(17)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeySRRIUMCKLTZGFF-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.57
Rot. Bonds4

About 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one

2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one (PubChem CID 141476320) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one
PubChem CID141476320
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one
SMILESCc1cc(Cl)cc2c(=O)n(C)c(-c3cccnc3NCc3ccccc3)nc12
InChIInChI=1S/C22H19ClN4O/c1-14-11-16(23)12-18-19(14)26-21(27(2)22(18)28)17-9-6-10-24-20(17)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeySRRIUMCKLTZGFF-UHFFFAOYSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one?
The IUPAC name of 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one (CID 141476320) is 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one.
What is the SMILES notation for 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one?
The canonical SMILES for 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one is Cc1cc(Cl)cc2c(=O)n(C)c(-c3cccnc3NCc3ccccc3)nc12.
What is the InChIKey of 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one?
The InChIKey is SRRIUMCKLTZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14-11-16(23)12-18-19(14)26-21(27(2)22(18)28)17-9-6-10-24-20(17)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one?
2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one has a molecular weight of 390.87 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-3-pyridinyl]-6-chloro-3,8-dimethylquinazolin-4-one is sourced from PubChem (CID 141476320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).