(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone

C26H26N4O2 — CID 91159618

IUPAC(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ccn(C)c4c3)CC1)c1cccn1-2
InChIInChI=1S/C26H26N4O2/c1-28-13-9-18-5-6-19(16-23(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)22-8-7-20(32-2)17-21(22)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyRARHJCMGSYVABZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.53
Rot. Bonds2

About (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone (PubChem CID 91159618) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone.

Molecular Properties

Compound Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone
PubChem CID91159618
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ccn(C)c4c3)CC1)c1cccn1-2
InChIInChI=1S/C26H26N4O2/c1-28-13-9-18-5-6-19(16-23(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)22-8-7-20(32-2)17-21(22)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyRARHJCMGSYVABZ-UHFFFAOYSA-N
XLogP4.53
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45270364
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
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Indolocarbazole deriv. 11f
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Indole-based analog 14
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CID 877405
N-(4-methoxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 16432965
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CID 10199480
N-[2-(dimethylamino)ethyl]-9-methoxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 11741133
7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one
CID 24205092
[3-(dimethylamino)-4-methoxyphenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 49831248
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-6-ylmethanone
CID 49869305

Frequently Asked Questions

What is the IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone?
The IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone (CID 91159618) is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone.
What is the SMILES notation for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone?
The canonical SMILES for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ccn(C)c4c3)CC1)c1cccn1-2.
What is the InChIKey of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone?
The InChIKey is RARHJCMGSYVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28-13-9-18-5-6-19(16-23(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)22-8-7-20(32-2)17-21(22)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3.
What are the key properties of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone?
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-6-yl)methanone has a molecular weight of 426.52 g/mol, XLogP of 4.53, 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)-(1-methylindol-6-yl)methanone is sourced from PubChem (CID 91159618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).