methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate

C30H30N4O2S — CID 59664806

IUPACmethyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3N)[nH]c2c1
InChIInChI=1S/C30H30N4O2S/c1-16-29(37-17(2)32-16)24-14-11-21-23(33-24)13-12-22(27(21)31)28-26(18-7-5-4-6-8-18)20-10-9-19(30(35)36-3)15-25(20)34-28/h9-15,18,34H,4-8,31H2,1-3H3
InChIKeyLSWLZQRDGAIHJV-UHFFFAOYSA-N
MW510.66 g/mol
LogP7.54
Rot. Bonds4

About methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate

methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate (PubChem CID 59664806) has the molecular formula C30H30N4O2S and a molecular weight of 510.66 g/mol. Its IUPAC name is methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate
PubChem CID59664806
Molecular FormulaC30H30N4O2S
Molecular Weight510.66 g/mol
Exact Mass510.21
IUPAC Namemethyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3N)[nH]c2c1
InChIInChI=1S/C30H30N4O2S/c1-16-29(37-17(2)32-16)24-14-11-21-23(33-24)13-12-22(27(21)31)28-26(18-7-5-4-6-8-18)20-10-9-19(30(35)36-3)15-25(20)34-28/h9-15,18,34H,4-8,31H2,1-3H3
InChIKeyLSWLZQRDGAIHJV-UHFFFAOYSA-N
XLogP7.54
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate (CID 59664806) is methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3N)[nH]c2c1.
What is the InChIKey of methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate?
The InChIKey is LSWLZQRDGAIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S/c1-16-29(37-17(2)32-16)24-14-11-21-23(33-24)13-12-22(27(21)31)28-26(18-7-5-4-6-8-18)20-10-9-19(30(35)36-3)15-25(20)34-28/h9-15,18,34H,4-8,31H2,1-3H3.
What are the key properties of methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate?
methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate has a molecular weight of 510.66 g/mol, XLogP of 7.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-3-cyclohexyl-1H-indole-6-carboxylate is sourced from PubChem (CID 59664806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).