2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone

C24H23ClN2O — CID 158812272

IUPAC2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2
InChIInChI=1S/C24H23ClN2O/c25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t17?,21-,24?/m1/s1
InChIKeyNZKMTSHCMAECHD-SSSUMRQXSA-N
MW390.91 g/mol
LogP5.76
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone

2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone (PubChem CID 158812272) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
PubChem CID158812272
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2
InChIInChI=1S/C24H23ClN2O/c25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t17?,21-,24?/m1/s1
InChIKeyNZKMTSHCMAECHD-SSSUMRQXSA-N
XLogP5.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[6-(6-fluoro-7-isocyanoquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157323924
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone
CID 160791407
N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 162483580
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
(2S)-N-(6-chloro-3-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 147211398
N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
CID 156757393
(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 155011627
2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide
CID 138577067
4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
CID 142578317
(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
CID 156622336
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone (CID 158812272) is 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone is O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The InChIKey is NZKMTSHCMAECHD-SSSUMRQXSA-N. The full InChI is InChI=1S/C24H23ClN2O/c25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t17?,21-,24?/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone?
2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone has a molecular weight of 390.91 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 158812272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).