7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H20ClN3O2 — CID 46614668

IUPAC7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C2CCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-17-7-4-14(5-8-17)18-3-2-10-23(18)13-16-11-20(25)24-12-15(21)6-9-19(24)22-16/h4-9,11-12,18H,2-3,10,13H2,1H3
InChIKeyHTMVRRDLEHHVQH-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.69
Rot. Bonds4

About 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46614668) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID46614668
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C2CCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-17-7-4-14(5-8-17)18-3-2-10-23(18)13-16-11-20(25)24-12-15(21)6-9-19(24)22-16/h4-9,11-12,18H,2-3,10,13H2,1H3
InChIKeyHTMVRRDLEHHVQH-UHFFFAOYSA-N
XLogP3.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92861391
7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17456486
2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119915940
2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 47057204
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46827842
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
9-methyl-2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95283627

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 46614668) is 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(C2CCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HTMVRRDLEHHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-17-7-4-14(5-8-17)18-3-2-10-23(18)13-16-11-20(25)24-12-15(21)6-9-19(24)22-16/h4-9,11-12,18H,2-3,10,13H2,1H3.
What are the key properties of 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.85 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).