(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone

C26H24N4O2 — CID 118714783

IUPAC(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cccnc4c3)CC1)c1cccn1-2
InChIInChI=1S/C26H24N4O2/c1-32-20-8-9-23-22(17-20)28-26(24-5-3-13-30(23)24)10-14-29(15-11-26)25(31)19-7-6-18-4-2-12-27-21(18)16-19/h2-9,12-13,16-17,28H,10-11,14-15H2,1H3
InChIKeyPAVJTIZKZGBFDO-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.59
Rot. Bonds2

About (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone (PubChem CID 118714783) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
PubChem CID118714783
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cccnc4c3)CC1)c1cccn1-2
InChIInChI=1S/C26H24N4O2/c1-32-20-8-9-23-22(17-20)28-26(24-5-3-13-30(23)24)10-14-29(15-11-26)25(31)19-7-6-18-4-2-12-27-21(18)16-19/h2-9,12-13,16-17,28H,10-11,14-15H2,1H3
InChIKeyPAVJTIZKZGBFDO-UHFFFAOYSA-N
XLogP4.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 70814273
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
CID 95794222
CID 95794222
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
3-(benzotriazol-1-yl)-1-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 16674622
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260

Frequently Asked Questions

What is the IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone?
The IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone (CID 118714783) is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone.
What is the SMILES notation for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone?
The canonical SMILES for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cccnc4c3)CC1)c1cccn1-2.
What is the InChIKey of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone?
The InChIKey is PAVJTIZKZGBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-20-8-9-23-22(17-20)28-26(24-5-3-13-30(23)24)10-14-29(15-11-26)25(31)19-7-6-18-4-2-12-27-21(18)16-19/h2-9,12-13,16-17,28H,10-11,14-15H2,1H3.
What are the key properties of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone?
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone has a molecular weight of 424.50 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone is sourced from PubChem (CID 118714783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).