7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H15Cl2N3O — CID 92846184

IUPAC7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O/c1-11(12-2-4-13(18)5-3-12)20-9-15-8-17(23)22-10-14(19)6-7-16(22)21-15/h2-8,10-11,20H,9H2,1H3/t11-/m1/s1
InChIKeyVJRZWCCDBNQZKJ-LLVKDONJSA-N
MW348.23 g/mol
LogP3.85
Rot. Bonds4

About 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92846184) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92846184
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O/c1-11(12-2-4-13(18)5-3-12)20-9-15-8-17(23)22-10-14(19)6-7-16(22)21-15/h2-8,10-11,20H,9H2,1H3/t11-/m1/s1
InChIKeyVJRZWCCDBNQZKJ-LLVKDONJSA-N
XLogP3.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(2R)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
CID 83194830
7-chloro-2-[1-(4-chlorophenyl)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 55989165
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 78818376
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 166333315
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113
7-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92828595
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92784199
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
CID 166191008
7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9368681

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92846184) is 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VJRZWCCDBNQZKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-11(12-2-4-13(18)5-3-12)20-9-15-8-17(23)22-10-14(19)6-7-16(22)21-15/h2-8,10-11,20H,9H2,1H3/t11-/m1/s1.
What are the key properties of 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 348.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92846184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).