2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid

C27H25N5O3 — CID 57386008

IUPAC2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12
InChIInChI=1S/C27H25N5O3/c33-25(34)18-31-14-11-28-24(31)17-30-12-9-27(10-13-30)21-6-2-4-8-23(21)32(26(27)35)20-15-19-5-1-3-7-22(19)29-16-20/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,33,34)
InChIKeyDLIJENPGOQXTCQ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.73
Rot. Bonds5

About 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid

2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid (PubChem CID 57386008) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid
PubChem CID57386008
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12
InChIInChI=1S/C27H25N5O3/c33-25(34)18-31-14-11-28-24(31)17-30-12-9-27(10-13-30)21-6-2-4-8-23(21)32(26(27)35)20-15-19-5-1-3-7-22(19)29-16-20/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,33,34)
InChIKeyDLIJENPGOQXTCQ-UHFFFAOYSA-N
XLogP3.73
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid (CID 57386008) is 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12.
What is the InChIKey of 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid?
The InChIKey is DLIJENPGOQXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c33-25(34)18-31-14-11-28-24(31)17-30-12-9-27(10-13-30)21-6-2-4-8-23(21)32(26(27)35)20-15-19-5-1-3-7-22(19)29-16-20/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,33,34).
What are the key properties of 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid?
2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid has a molecular weight of 467.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid is sourced from PubChem (CID 57386008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).