3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

C17H15ClN4O — CID 761275

IUPAC3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2ccc(C)cn2c(=O)c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-11-6-7-15-21-16(19-2)14(17(23)22(15)10-11)9-20-13-5-3-4-12(18)8-13/h3-10,19H,1-2H3/b20-9+
InChIKeyQAULYZWZANYXHQ-AWQFTUOYSA-N
MW326.79 g/mol
LogP3.45
Rot. Bonds3

About 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 761275) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID761275
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2ccc(C)cn2c(=O)c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-11-6-7-15-21-16(19-2)14(17(23)22(15)10-11)9-20-13-5-3-4-12(18)8-13/h3-10,19H,1-2H3/b20-9+
InChIKeyQAULYZWZANYXHQ-AWQFTUOYSA-N
XLogP3.45
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (CID 761275) is 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is CNc1nc2ccc(C)cn2c(=O)c1/C=N/c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QAULYZWZANYXHQ-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-6-7-15-21-16(19-2)14(17(23)22(15)10-11)9-20-13-5-3-4-12(18)8-13/h3-10,19H,1-2H3/b20-9+.
What are the key properties of 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 326.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)iminomethyl]-7-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 761275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).