2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate

C23H17ClNO6- — CID 78462312

IUPAC2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)C1c1ccc(OCC(=O)[O-])c(Cl)c1
InChIInChI=1S/C23H18ClNO6/c1-11-18(23(29)30-2)19(12-7-8-16(15(24)9-12)31-10-17(26)27)20-21(25-11)13-5-3-4-6-14(13)22(20)28/h3-9,18-19H,10H2,1-2H3,(H,26,27)/p-1
InChIKeyLDAGWKZWCFILKV-UHFFFAOYSA-M
MW438.84 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate

2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate (PubChem CID 78462312) has the molecular formula C23H17ClNO6- and a molecular weight of 438.84 g/mol. Its IUPAC name is 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate.

Molecular Properties

Compound Name2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
PubChem CID78462312
Molecular FormulaC23H17ClNO6-
Molecular Weight438.84 g/mol
Exact Mass438.07
IUPAC Name2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)C1c1ccc(OCC(=O)[O-])c(Cl)c1
InChIInChI=1S/C23H18ClNO6/c1-11-18(23(29)30-2)19(12-7-8-16(15(24)9-12)31-10-17(26)27)20-21(25-11)13-5-3-4-6-14(13)22(20)28/h3-9,18-19H,10H2,1-2H3,(H,26,27)/p-1
InChIKeyLDAGWKZWCFILKV-UHFFFAOYSA-M
XLogP2.42
TPSA105.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate with MolForge

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Related Compounds

methyl (4R)-4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7210911
methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6965466
2-[4-bromo-2-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetic acid
CID 74712237
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7909677
dimethyl 4-(3,4-dichlorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 78460235
methyl (4R,7S)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7088286
methyl (4R,7R)-7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967779
methyl 4-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2891002
methyl (4R,7R)-7-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089994
methyl (4S,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968619
methyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968617

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate?
The IUPAC name of 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate (CID 78462312) is 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate.
What is the SMILES notation for 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate?
The canonical SMILES for 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate is COC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)C1c1ccc(OCC(=O)[O-])c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate?
The InChIKey is LDAGWKZWCFILKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18ClNO6/c1-11-18(23(29)30-2)19(12-7-8-16(15(24)9-12)31-10-17(26)27)20-21(25-11)13-5-3-4-6-14(13)22(20)28/h3-9,18-19H,10H2,1-2H3,(H,26,27)/p-1.
What are the key properties of 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate?
2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate has a molecular weight of 438.84 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate is sourced from PubChem (CID 78462312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).