N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

C23H23N3O2 — CID 175968292

IUPACN-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1)c1ncco1
InChIInChI=1S/C23H23N3O2/c1-15(22-24-11-12-28-22)26-21(27)18-13-17-3-2-4-19(20(17)25-14-18)16-5-7-23(8-6-16)9-10-23/h2-5,11-15H,6-10H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeySEHUPQJRCKJNSS-OAHLLOKOSA-N
MW373.46 g/mol
LogP5.06
Rot. Bonds4

About N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (PubChem CID 175968292) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
PubChem CID175968292
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1)c1ncco1
InChIInChI=1S/C23H23N3O2/c1-15(22-24-11-12-28-22)26-21(27)18-13-17-3-2-4-19(20(17)25-14-18)16-5-7-23(8-6-16)9-10-23/h2-5,11-15H,6-10H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeySEHUPQJRCKJNSS-OAHLLOKOSA-N
XLogP5.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (CID 175968292) is N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is C[C@@H](NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1)c1ncco1.
What is the InChIKey of N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The InChIKey is SEHUPQJRCKJNSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(22-24-11-12-28-22)26-21(27)18-13-17-3-2-4-19(20(17)25-14-18)16-5-7-23(8-6-16)9-10-23/h2-5,11-15H,6-10H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is sourced from PubChem (CID 175968292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).