4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

C22H22ClN3O2 — CID 164720221

IUPAC4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C=C1CCNCC1
InChIInChI=1S/C22H22ClN3O2/c1-26-13-19(16-5-8-25-12-18(16)22(26)27)15-10-20(23)17(21(11-15)28-2)9-14-3-6-24-7-4-14/h5,8-13,24H,3-4,6-7H2,1-2H3
InChIKeyQRTFUJVHLHSSEI-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.03
Rot. Bonds3

About 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 164720221) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID164720221
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C=C1CCNCC1
InChIInChI=1S/C22H22ClN3O2/c1-26-13-19(16-5-8-25-12-18(16)22(26)27)15-10-20(23)17(21(11-15)28-2)9-14-3-6-24-7-4-14/h5,8-13,24H,3-4,6-7H2,1-2H3
InChIKeyQRTFUJVHLHSSEI-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 168729664
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
4-[3-chloro-4-[(3-fluoro-4-methyl-3-phosphanylpiperidin-1-yl)methyl]-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 169241818
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672337
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
methyl 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]bicyclo[1.1.0]butane-1-carboxylate
CID 154672012

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 164720221) is 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1C=C1CCNCC1.
What is the InChIKey of 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is QRTFUJVHLHSSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26-13-19(16-5-8-25-12-18(16)22(26)27)15-10-20(23)17(21(11-15)28-2)9-14-3-6-24-7-4-14/h5,8-13,24H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 395.89 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 164720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).