6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C23H24ClN3O3 — CID 121335288

IUPAC6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(17-12-15(2)25-21(17)23(27)29)16-5-6-20(24)18(13-16)22(28)26-8-10-30-11-9-26/h3,5-6,12-14,25H,1,4,7-11H2,2H3
InChIKeySUGOZWDZRQZYCD-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.01
Rot. Bonds5

About 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121335288) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121335288
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(17-12-15(2)25-21(17)23(27)29)16-5-6-20(24)18(13-16)22(28)26-8-10-30-11-9-26/h3,5-6,12-14,25H,1,4,7-11H2,2H3
InChIKeySUGOZWDZRQZYCD-UHFFFAOYSA-N
XLogP4.01
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335284
6-but-3-enyl-4-[4-(4-ethylpiperazine-1-carbonyl)-2,5-dimethoxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171527424
[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
CID 46389343
2-[(E)-but-2-enyl]-6-methyl-4-[3-methyl-4-(morpholine-4-carbonyl)phenyl]-7H-cyclopenta[c]pyridin-1-one
CID 159422090
6-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
CID 145081735
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
6-but-3-enyl-4-[6-(4-iodopiperazine-1-carbonyl)-1-methylbenzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170576468
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(3Z)-4-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-3-[[5-methyl-3-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 59989639

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121335288) is 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is C=CCCn1cc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c2cc(C)[nH]c2c1=O.
What is the InChIKey of 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SUGOZWDZRQZYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(17-12-15(2)25-21(17)23(27)29)16-5-6-20(24)18(13-16)22(28)26-8-10-30-11-9-26/h3,5-6,12-14,25H,1,4,7-11H2,2H3.
What are the key properties of 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 425.92 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-4-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-2-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121335288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).