methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate

C23H20ClNO5 — CID 19134584

IUPACmethyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
SMILESCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C23H20ClNO5/c1-4-9-25-19(13-5-7-14(8-6-13)23(28)29-3)18-20(26)15-11-16(24)12(2)10-17(15)30-21(18)22(25)27/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyYNNXWGQSYKGKTP-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.50
Rot. Bonds4

About methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate

methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate (PubChem CID 19134584) has the molecular formula C23H20ClNO5 and a molecular weight of 425.87 g/mol. Its IUPAC name is methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
PubChem CID19134584
Molecular FormulaC23H20ClNO5
Molecular Weight425.87 g/mol
Exact Mass425.10
IUPAC Namemethyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
SMILESCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C23H20ClNO5/c1-4-9-25-19(13-5-7-14(8-6-13)23(28)29-3)18-20(26)15-11-16(24)12(2)10-17(15)30-21(18)22(25)27/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyYNNXWGQSYKGKTP-UHFFFAOYSA-N
XLogP4.50
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate with MolForge

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Related Compounds

methyl 4-(7-chloro-2-ethyl-6-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19134572
methyl 4-[(1R)-7-chloro-2,6-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 41417732
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
methyl 4-[(1S)-6,7-dimethyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2036405
methyl 4-[(1R)-7-chloro-2-(2-hydroxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2045089
methyl 4-[2-[(4-fluorophenyl)methyl]-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18810906
1-(4-butoxyphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882126
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882178
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134602
methyl 4-(3,9-dioxo-2-pentyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19113859

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The IUPAC name of methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate (CID 19134584) is methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate.
What is the SMILES notation for methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The canonical SMILES for methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate is CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The InChIKey is YNNXWGQSYKGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5/c1-4-9-25-19(13-5-7-14(8-6-13)23(28)29-3)18-20(26)15-11-16(24)12(2)10-17(15)30-21(18)22(25)27/h5-8,10-11,19H,4,9H2,1-3H3.
What are the key properties of methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate has a molecular weight of 425.87 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate is sourced from PubChem (CID 19134584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).