(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

C25H24ClN3O2 — CID 69434786

IUPAC(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCN1C2=CC=CCC2=C(c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)c2ccccc21.Cl
InChIInChI=1S/C25H23N3O2.ClH/c1-28-21-8-4-2-6-18(21)24(19-7-3-5-9-22(19)28)16-10-12-17(13-11-16)26-25(30)20-14-15-23(29)27-20;/h2-6,8-13,20H,7,14-15H2,1H3,(H,26,30)(H,27,29);1H/t20-;/m0./s1
InChIKeyDTJRVHZGKPKRDJ-BDQAORGHSA-N
MW433.94 g/mol
LogP4.42
Rot. Bonds3

About (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 69434786) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID69434786
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCN1C2=CC=CCC2=C(c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)c2ccccc21.Cl
InChIInChI=1S/C25H23N3O2.ClH/c1-28-21-8-4-2-6-18(21)24(19-7-3-5-9-22(19)28)16-10-12-17(13-11-16)26-25(30)20-14-15-23(29)27-20;/h2-6,8-13,20H,7,14-15H2,1H3,(H,26,30)(H,27,29);1H/t20-;/m0./s1
InChIKeyDTJRVHZGKPKRDJ-BDQAORGHSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 69434786) is (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is CN1C2=CC=CCC2=C(c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)c2ccccc21.Cl.
What is the InChIKey of (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DTJRVHZGKPKRDJ-BDQAORGHSA-N. The full InChI is InChI=1S/C25H23N3O2.ClH/c1-28-21-8-4-2-6-18(21)24(19-7-3-5-9-22(19)28)16-10-12-17(13-11-16)26-25(30)20-14-15-23(29)27-20;/h2-6,8-13,20H,7,14-15H2,1H3,(H,26,30)(H,27,29);1H/t20-;/m0./s1.
What are the key properties of (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 69434786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).