7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H20ClN3O2 — CID 18094800

IUPAC7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(OCCN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)c1
InChIInChI=1S/C19H20ClN3O2/c1-14-4-3-5-17(10-14)25-9-8-22(2)13-16-11-19(24)23-12-15(20)6-7-18(23)21-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyZWRCSDJXZNMVLC-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.17
Rot. Bonds6

About 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18094800) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18094800
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(OCCN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)c1
InChIInChI=1S/C19H20ClN3O2/c1-14-4-3-5-17(10-14)25-9-8-22(2)13-16-11-19(24)23-12-15(20)6-7-18(23)21-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyZWRCSDJXZNMVLC-UHFFFAOYSA-N
XLogP3.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 18094800) is 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc(OCCN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)c1.
What is the InChIKey of 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZWRCSDJXZNMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14-4-3-5-17(10-14)25-9-8-22(2)13-16-11-19(24)23-12-15(20)6-7-18(23)21-16/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).