(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C24H30N2O4 — CID 71523746

IUPAC(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2
InChIInChI=1S/C24H30N2O4/c1-29-21-13-16-12-15(24(28)18(16)14-22(21)30-2)6-3-4-11-25-19-7-5-8-20-17(19)9-10-23(27)26-20/h9-10,13-15,19,25H,3-8,11-12H2,1-2H3,(H,26,27)/t15?,19-/m1/s1
InChIKeyFPPCSQYNOOZECN-XCWJXAQQSA-N
MW410.51 g/mol
LogP3.58
Rot. Bonds8

About (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 71523746) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID71523746
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2
InChIInChI=1S/C24H30N2O4/c1-29-21-13-16-12-15(24(28)18(16)14-22(21)30-2)6-3-4-11-25-19-7-5-8-20-17(19)9-10-23(27)26-20/h9-10,13-15,19,25H,3-8,11-12H2,1-2H3,(H,26,27)/t15?,19-/m1/s1
InChIKeyFPPCSQYNOOZECN-XCWJXAQQSA-N
XLogP3.58
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 71523746) is (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(=O)C(CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2.
What is the InChIKey of (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FPPCSQYNOOZECN-XCWJXAQQSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-21-13-16-12-15(24(28)18(16)14-22(21)30-2)6-3-4-11-25-19-7-5-8-20-17(19)9-10-23(27)26-20/h9-10,13-15,19,25H,3-8,11-12H2,1-2H3,(H,26,27)/t15?,19-/m1/s1.
What are the key properties of (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 410.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)butylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 71523746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).