6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C19H16ClN3O3 — CID 70705934

IUPAC6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2
InChIInChI=1S/C19H16ClN3O3/c1-11-21-15-10-23(9-13(15)18(24)22(11)2)19(25)17-8-7-16(26-17)12-5-3-4-6-14(12)20/h3-8H,9-10H2,1-2H3
InChIKeyXJLQNBULPQCFKM-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.16
Rot. Bonds2

About 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 70705934) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID70705934
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2
InChIInChI=1S/C19H16ClN3O3/c1-11-21-15-10-23(9-13(15)18(24)22(11)2)19(25)17-8-7-16(26-17)12-5-3-4-6-14(12)20/h3-8H,9-10H2,1-2H3
InChIKeyXJLQNBULPQCFKM-UHFFFAOYSA-N
XLogP3.16
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
[5-(2-chlorophenyl)furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 40676181
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572897
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 70705934) is 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2.
What is the InChIKey of 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is XJLQNBULPQCFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-21-15-10-23(9-13(15)18(24)22(11)2)19(25)17-8-7-16(26-17)12-5-3-4-6-14(12)20/h3-8H,9-10H2,1-2H3.
What are the key properties of 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 369.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 70705934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).