[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate

C27H29FN4O4 — CID 146509101

IUPAC[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate
SMILESCCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)[C@@H](C)C1
InChIInChI=1S/C27H29FN4O4/c1-5-34-24-14-21-18(13-25(24)36-27(33)32-11-10-31(4)17(3)15-32)22(8-9-29-21)35-23-7-6-20-19(26(23)28)12-16(2)30-20/h6-9,12-14,17,30H,5,10-11,15H2,1-4H3/t17-/m0/s1
InChIKeyPMBIABUJMDUDNT-KRWDZBQOSA-N
MW492.55 g/mol
LogP5.49
Rot. Bonds5

About [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate

[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate (PubChem CID 146509101) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate
PubChem CID146509101
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate
SMILESCCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)[C@@H](C)C1
InChIInChI=1S/C27H29FN4O4/c1-5-34-24-14-21-18(13-25(24)36-27(33)32-11-10-31(4)17(3)15-32)22(8-9-29-21)35-23-7-6-20-19(26(23)28)12-16(2)30-20/h6-9,12-14,17,30H,5,10-11,15H2,1-4H3/t17-/m0/s1
InChIKeyPMBIABUJMDUDNT-KRWDZBQOSA-N
XLogP5.49
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate
CID 146509557
7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinoline
CID 146508389
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469418
ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
CID 143120826
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-7-ol
CID 137046070
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 151563575
ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene
CID 143120871
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
4-chloro-7-hydroxyquinoline-6-carbonitrile;4-chloro-7-(2-methoxyethoxy)quinoline-6-carbonitrile;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 160842101
4-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-yl]oxypropyl]-1,4-thiazinane 1,1-dioxide
CID 22490030
3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
CID 159338818
2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 142291674

Frequently Asked Questions

What is the IUPAC name of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate (CID 146509101) is [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate is CCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)[C@@H](C)C1.
What is the InChIKey of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate?
The InChIKey is PMBIABUJMDUDNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-5-34-24-14-21-18(13-25(24)36-27(33)32-11-10-31(4)17(3)15-32)22(8-9-29-21)35-23-7-6-20-19(26(23)28)12-16(2)30-20/h6-9,12-14,17,30H,5,10-11,15H2,1-4H3/t17-/m0/s1.
What are the key properties of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate?
[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate has a molecular weight of 492.55 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 146509101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).