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

C21H15ClN4O — CID 1159739

IUPAC2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/c2cccc(Cl)c2)c(Nc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H15ClN4O/c22-15-7-6-10-17(13-15)23-14-18-20(24-16-8-2-1-3-9-16)25-19-11-4-5-12-26(19)21(18)27/h1-14,24H/b23-14+
InChIKeyAECWHOSORLLXCQ-OEAKJJBVSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

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

2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 1159739) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID1159739
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/c2cccc(Cl)c2)c(Nc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H15ClN4O/c22-15-7-6-10-17(13-15)23-14-18-20(24-16-8-2-1-3-9-16)25-19-11-4-5-12-26(19)21(18)27/h1-14,24H/b23-14+
InChIKeyAECWHOSORLLXCQ-OEAKJJBVSA-N
XLogP4.84
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.84
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 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 1159739) is 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(/C=N/c2cccc(Cl)c2)c(Nc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AECWHOSORLLXCQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-15-7-6-10-17(13-15)23-14-18-20(24-16-8-2-1-3-9-16)25-19-11-4-5-12-26(19)21(18)27/h1-14,24H/b23-14+.
What are the key properties of 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 1159739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).