methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate

C24H25N3O2 — CID 141447996

IUPACmethyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4[nH]c(C)cc4c3)c(N(C)C(C)C)cc2c1
InChIInChI=1S/C24H25N3O2/c1-14(2)27(4)22-13-19-12-17(24(28)29-5)7-9-21(19)26-23(22)16-6-8-20-18(11-16)10-15(3)25-20/h6-14,25H,1-5H3
InChIKeyYSQDWQUJCIRJMI-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.32
Rot. Bonds4

About methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate

methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate (PubChem CID 141447996) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
PubChem CID141447996
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Namemethyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4[nH]c(C)cc4c3)c(N(C)C(C)C)cc2c1
InChIInChI=1S/C24H25N3O2/c1-14(2)27(4)22-13-19-12-17(24(28)29-5)7-9-21(19)26-23(22)16-6-8-20-18(11-16)10-15(3)25-20/h6-14,25H,1-5H3
InChIKeyYSQDWQUJCIRJMI-UHFFFAOYSA-N
XLogP5.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate with MolForge

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Related Compounds

3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
CID 141448054
methyl 2-(2-methyl-1H-indol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylate
CID 141448007
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344445
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
CID 141448044
2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344743
propan-2-yl 2-methyl-1H-indole-5-carboxylate
CID 133060413
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344901
methyl 3-[[(2S)-butan-2-yl]amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344700
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methanol;methyl 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 157267531
methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
CID 69224754

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate?
The IUPAC name of methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate (CID 141447996) is methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate?
The canonical SMILES for methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc4[nH]c(C)cc4c3)c(N(C)C(C)C)cc2c1.
What is the InChIKey of methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate?
The InChIKey is YSQDWQUJCIRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-14(2)27(4)22-13-19-12-17(24(28)29-5)7-9-21(19)26-23(22)16-6-8-20-18(11-16)10-15(3)25-20/h6-14,25H,1-5H3.
What are the key properties of methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate?
methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate is sourced from PubChem (CID 141447996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).