1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one

C25H27N3O2 — CID 16727229

IUPAC1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCCN1CCCC1=O
InChIInChI=1S/C25H27N3O2/c1-18-21-12-16-28(15-6-14-27-13-5-9-24(27)29)25(21)22-17-20(10-11-23(22)26-18)30-19-7-3-2-4-8-19/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3
InChIKeyDDKUAZFTMXXZIS-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.71
Rot. Bonds6

About 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one

1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 16727229) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one
PubChem CID16727229
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCCN1CCCC1=O
InChIInChI=1S/C25H27N3O2/c1-18-21-12-16-28(15-6-14-27-13-5-9-24(27)29)25(21)22-17-20(10-11-23(22)26-18)30-19-7-3-2-4-8-19/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3
InChIKeyDDKUAZFTMXXZIS-UHFFFAOYSA-N
XLogP4.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one (CID 16727229) is 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCCN1CCCC1=O.
What is the InChIKey of 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is DDKUAZFTMXXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-21-12-16-28(15-6-14-27-13-5-9-24(27)29)25(21)22-17-20(10-11-23(22)26-18)30-19-7-3-2-4-8-19/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3.
What are the key properties of 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one?
1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 16727229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).