2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C19H21ClN2O5 — CID 6228182

IUPAC2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)c(Cl)cc12
InChIInChI=1S/C19H21ClN2O5/c1-11-12-8-14(20)15(23)10-16(12)27-19(26)13(11)9-17(24)21-5-3-7-22-6-2-4-18(22)25/h8,10,23H,2-7,9H2,1H3,(H,21,24)
InChIKeyQVWRXCBISACPKK-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.13
Rot. Bonds6

About 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 6228182) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID6228182
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)c(Cl)cc12
InChIInChI=1S/C19H21ClN2O5/c1-11-12-8-14(20)15(23)10-16(12)27-19(26)13(11)9-17(24)21-5-3-7-22-6-2-4-18(22)25/h8,10,23H,2-7,9H2,1H3,(H,21,24)
InChIKeyQVWRXCBISACPKK-UHFFFAOYSA-N
XLogP2.13
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907318
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4906252
(2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid
CID 6351888
3-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propyl-dimethylazanium
CID 7599624
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 6159801
(2S)-1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 7002032
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetamide
CID 4869657

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 6228182) is 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is QVWRXCBISACPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-11-12-8-14(20)15(23)10-16(12)27-19(26)13(11)9-17(24)21-5-3-7-22-6-2-4-18(22)25/h8,10,23H,2-7,9H2,1H3,(H,21,24).
What are the key properties of 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 392.84 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 6228182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).