(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

C24H25ClN2O2 — CID 95874354

IUPAC(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1
InChIInChI=1S/C24H25ClN2O2/c25-21-6-4-16(5-7-21)23-20(13-27-9-8-24(29,14-27)15-28)11-19-10-17-2-1-3-18(17)12-22(19)26-23/h4-7,10-12,28-29H,1-3,8-9,13-15H2/t24-/m1/s1
InChIKeyJJDSZQQAZDKSEI-XMMPIXPASA-N
MW408.93 g/mol
LogP3.97
Rot. Bonds4

About (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 95874354) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID95874354
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1
InChIInChI=1S/C24H25ClN2O2/c25-21-6-4-16(5-7-21)23-20(13-27-9-8-24(29,14-27)15-28)11-19-10-17-2-1-3-18(17)12-22(19)26-23/h4-7,10-12,28-29H,1-3,8-9,13-15H2/t24-/m1/s1
InChIKeyJJDSZQQAZDKSEI-XMMPIXPASA-N
XLogP3.97
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (CID 95874354) is (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is OC[C@@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1.
What is the InChIKey of (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is JJDSZQQAZDKSEI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-21-6-4-16(5-7-21)23-20(13-27-9-8-24(29,14-27)15-28)11-19-10-17-2-1-3-18(17)12-22(19)26-23/h4-7,10-12,28-29H,1-3,8-9,13-15H2/t24-/m1/s1.
What are the key properties of (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
(3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 408.93 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 95874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).