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

C30H34N2O4 — CID 20828069

IUPACN,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccc(C(C)C)cc3cc1O)C2=O
InChIInChI=1S/C30H34N2O4/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/h9-12,15-18,26,33H,5-8,13-14H2,1-4H3
InChIKeyPBNVTXIDOOHBES-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.27
Rot. Bonds9

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

N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide (PubChem CID 20828069) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
PubChem CID20828069
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC NameN,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccc(C(C)C)cc3cc1O)C2=O
InChIInChI=1S/C30H34N2O4/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/h9-12,15-18,26,33H,5-8,13-14H2,1-4H3
InChIKeyPBNVTXIDOOHBES-UHFFFAOYSA-N
XLogP6.27
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.27
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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Related Compounds

C.I. Solvent Yellow 114
CID 24228
3-Hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one
CID 87299
1H-Indene-5-carboxamide, 2-(4-bromo-3-hydroxy-2-quinolinyl)-2,3-dihydro-1,3-dioxo-N,N-dipropyl-
CID 14453135
1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-
CID 136170940
N-[2-(dimethylamino)ethyl]-N-[[1-[(8-hydroxyquinolin-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-2-carboxamide
CID 145991603
1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(3-hydroxy-2-quinolinyl)-1,3-dioxo-, octyl ester
CID 14453131
1H-Benz(f)indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-
CID 162526
1H-Indene-5-carboxamide, 2,3-dihydro-2-(3-hydroxy-2(1H)-quinolinylidene)-N,N-dimethyl-1,3-dioxo-
CID 162538
Ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate
CID 93600
2-(3-Hydroxy-2-quinolyl)-5-phenyl-1H-indene-1,3(2H)-dione
CID 118169
1H-Indene-5-carboxamide, 2-(4-bromo-3-hydroxy-2-quinolinyl)-N,N-diethyl-2,3-dihydro-1,3-dioxo-
CID 166411
1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(3-hydroxy-2(1H)-quinolinylidene)-1,3-dioxo-
CID 87273

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide (CID 20828069) is N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccc(C(C)C)cc3cc1O)C2=O.
What is the InChIKey of N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
The InChIKey is PBNVTXIDOOHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/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/h9-12,15-18,26,33H,5-8,13-14H2,1-4H3.
What are the key properties of N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide?
N,N-dibutyl-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 6.27, 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-ylquinolin-2-yl)-1,3-dioxoindene-5-carboxamide is sourced from PubChem (CID 20828069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).