(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione

C20H16N2O2 — CID 901399

IUPAC(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione
SMILESCN(C)c1ccc([C@H]2C(=O)c3cc4ccccc4nc3C2=O)cc1
InChIInChI=1S/C20H16N2O2/c1-22(2)14-9-7-12(8-10-14)17-19(23)15-11-13-5-3-4-6-16(13)21-18(15)20(17)24/h3-11,17H,1-2H3/t17-/m0/s1
InChIKeyITIKCUQWGIOWKZ-KRWDZBQOSA-N
MW316.36 g/mol
LogP3.46
Rot. Bonds2

About (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione

(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione (PubChem CID 901399) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione
PubChem CID901399
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione
SMILESCN(C)c1ccc([C@H]2C(=O)c3cc4ccccc4nc3C2=O)cc1
InChIInChI=1S/C20H16N2O2/c1-22(2)14-9-7-12(8-10-14)17-19(23)15-11-13-5-3-4-6-16(13)21-18(15)20(17)24/h3-11,17H,1-2H3/t17-/m0/s1
InChIKeyITIKCUQWGIOWKZ-KRWDZBQOSA-N
XLogP3.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione (CID 901399) is (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione is CN(C)c1ccc([C@H]2C(=O)c3cc4ccccc4nc3C2=O)cc1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione?
The InChIKey is ITIKCUQWGIOWKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22(2)14-9-7-12(8-10-14)17-19(23)15-11-13-5-3-4-6-16(13)21-18(15)20(17)24/h3-11,17H,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione?
(2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]cyclopenta[b]quinoline-1,3-dione is sourced from PubChem (CID 901399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).