7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C21H22N2O3S — CID 20996453

IUPAC7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3
InChIInChI=1S/C21H22N2O3S/c1-14(2)15-5-8-19(9-6-15)27(24,25)23-11-10-17-12-16-4-7-18(26-3)13-20(16)22-21(17)23/h4-9,12-14H,10-11H2,1-3H3
InChIKeyOJWOZGWPVGYYQV-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.12
Rot. Bonds4

About 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996453) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996453
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3
InChIInChI=1S/C21H22N2O3S/c1-14(2)15-5-8-19(9-6-15)27(24,25)23-11-10-17-12-16-4-7-18(26-3)13-20(16)22-21(17)23/h4-9,12-14H,10-11H2,1-3H3
InChIKeyOJWOZGWPVGYYQV-UHFFFAOYSA-N
XLogP4.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996453) is 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3.
What is the InChIKey of 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is OJWOZGWPVGYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(2)15-5-8-19(9-6-15)27(24,25)23-11-10-17-12-16-4-7-18(26-3)13-20(16)22-21(17)23/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 382.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).