[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C19H20ClN4O2+ — CID 9254821

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)n12
InChIInChI=1S/C19H19ClN4O2/c1-13-4-3-5-17-21-16(10-19(26)24(13)17)11-23(2)12-18(25)22-15-8-6-14(20)7-9-15/h3-10H,11-12H2,1-2H3,(H,22,25)/p+1
InChIKeyPYIBFHLCIXESDY-UHFFFAOYSA-O
MW371.85 g/mol
LogP1.31
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 9254821) has the molecular formula C19H20ClN4O2+ and a molecular weight of 371.85 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID9254821
Molecular FormulaC19H20ClN4O2+
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)n12
InChIInChI=1S/C19H19ClN4O2/c1-13-4-3-5-17-21-16(10-19(26)24(13)17)11-23(2)12-18(25)22-15-8-6-14(20)7-9-15/h3-10H,11-12H2,1-2H3,(H,22,25)/p+1
InChIKeyPYIBFHLCIXESDY-UHFFFAOYSA-O
XLogP1.31
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9255254
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9255085
2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8675842
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 9348112
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8815746
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 42915856

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 9254821) is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH+](C)CC(=O)Nc3ccc(Cl)cc3)cc(=O)n12.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is PYIBFHLCIXESDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN4O2/c1-13-4-3-5-17-21-16(10-19(26)24(13)17)11-23(2)12-18(25)22-15-8-6-14(20)7-9-15/h3-10H,11-12H2,1-2H3,(H,22,25)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 371.85 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 9254821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).