N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide

C30H36N2O4 — CID 135201950

IUPACN,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(C1=Nc3ccc(C(C)C)cc3CC1O)C2=O
InChIInChI=1S/C30H36N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-16,18,25-26,33H,5-8,13-14,17H2,1-4H3
InChIKeyWEJRABRCWMZFJZ-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.54
Rot. Bonds9

About N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide

N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide (PubChem CID 135201950) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
PubChem CID135201950
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(C1=Nc3ccc(C(C)C)cc3CC1O)C2=O
InChIInChI=1S/C30H36N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-16,18,25-26,33H,5-8,13-14,17H2,1-4H3
InChIKeyWEJRABRCWMZFJZ-UHFFFAOYSA-N
XLogP5.54
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide (CID 135201950) is N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(C1=Nc3ccc(C(C)C)cc3CC1O)C2=O.
What is the InChIKey of N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The InChIKey is WEJRABRCWMZFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-16,18,25-26,33H,5-8,13-14,17H2,1-4H3.
What are the key properties of N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide is sourced from PubChem (CID 135201950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).