methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate

C23H24FN3O3 — CID 2025417

IUPACmethyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C
InChIInChI=1S/C23H24FN3O3/c1-13-4-8-18-17(10-13)21(22(25-18)23(29)30-3)26-20(28)12-27-14(2)5-6-15-11-16(24)7-9-19(15)27/h4,7-11,14,25H,5-6,12H2,1-3H3,(H,26,28)/t14-/m0/s1
InChIKeyHFXABDHCNJCDIG-AWEZNQCLSA-N
MW409.46 g/mol
LogP4.18
Rot. Bonds4

About methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate

methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate (PubChem CID 2025417) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
PubChem CID2025417
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namemethyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C
InChIInChI=1S/C23H24FN3O3/c1-13-4-8-18-17(10-13)21(22(25-18)23(29)30-3)26-20(28)12-27-14(2)5-6-15-11-16(24)7-9-19(15)27/h4,7-11,14,25H,5-6,12H2,1-3H3,(H,26,28)/t14-/m0/s1
InChIKeyHFXABDHCNJCDIG-AWEZNQCLSA-N
XLogP4.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate (CID 2025417) is methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C.
What is the InChIKey of methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The InChIKey is HFXABDHCNJCDIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-13-4-8-18-17(10-13)21(22(25-18)23(29)30-3)26-20(28)12-27-14(2)5-6-15-11-16(24)7-9-19(15)27/h4,7-11,14,25H,5-6,12H2,1-3H3,(H,26,28)/t14-/m0/s1.
What are the key properties of methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 2025417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).