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

C30H34N2O4 — CID 130207081

IUPAC(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)C(=O)[C@H](c1nc3ccc(C(C)C)cc3cc1O)C2=O
InChIInChI=1S/C30H34N2O4/c1-16(2)14-32(15-17(3)4)30(36)20-7-9-22-23(12-20)29(35)26(28(22)34)27-25(33)13-21-11-19(18(5)6)8-10-24(21)31-27/h7-13,16-18,26,33H,14-15H2,1-6H3/t26-/m1/s1
InChIKeyMNZSENHKJXDYDK-AREMUKBSSA-N
MW486.61 g/mol
LogP5.98
Rot. Bonds7

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

(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide (PubChem CID 130207081) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide
PubChem CID130207081
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)C(=O)[C@H](c1nc3ccc(C(C)C)cc3cc1O)C2=O
InChIInChI=1S/C30H34N2O4/c1-16(2)14-32(15-17(3)4)30(36)20-7-9-22-23(12-20)29(35)26(28(22)34)27-25(33)13-21-11-19(18(5)6)8-10-24(21)31-27/h7-13,16-18,26,33H,14-15H2,1-6H3/t26-/m1/s1
InChIKeyMNZSENHKJXDYDK-AREMUKBSSA-N
XLogP5.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 55.98
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'}

Analyze (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
CID 20695798
2-[butyl-[2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 162207632
N,N-dibutyl-2-(3-hydroxy-6-propan-2-yl-3,4-dihydroquinolin-2-yl)-1,3-dioxoindene-5-carboxamide
CID 135201950
2-(2-methylprop-2-enoyloxy)ethyl 2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carboxylate
CID 162207629
3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid
CID 135787058
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
CID 55003400
4-methylpentyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91737153
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide?
The IUPAC name of (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide (CID 130207081) is (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide.
What is the SMILES notation for (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide?
The canonical SMILES for (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)C(=O)[C@H](c1nc3ccc(C(C)C)cc3cc1O)C2=O.
What is the InChIKey of (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide?
The InChIKey is MNZSENHKJXDYDK-AREMUKBSSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-16(2)14-32(15-17(3)4)30(36)20-7-9-22-23(12-20)29(35)26(28(22)34)27-25(33)13-21-11-19(18(5)6)8-10-24(21)31-27/h7-13,16-18,26,33H,14-15H2,1-6H3/t26-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide?
(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide is sourced from PubChem (CID 130207081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).