2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C34H33Cl2N5O2 — CID 46935889

IUPAC2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1cccc(Cl)c1Cl
InChIInChI=1S/C34H33Cl2N5O2/c35-27-3-1-2-25(31(27)36)32(42)39-28-9-7-23-5-6-24(19-26(23)28)33(43)41-17-12-34(21-41)10-15-40(16-11-34)20-22-4-8-29-30(18-22)38-14-13-37-29/h1-6,8,13-14,18-19,28H,7,9-12,15-17,20-21H2,(H,39,42)
InChIKeyRIVDVPMLXOLLBX-UHFFFAOYSA-N
MW614.58 g/mol
LogP6.48
Rot. Bonds5

About 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 46935889) has the molecular formula C34H33Cl2N5O2 and a molecular weight of 614.58 g/mol. Its IUPAC name is 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID46935889
Molecular FormulaC34H33Cl2N5O2
Molecular Weight614.58 g/mol
Exact Mass613.20
IUPAC Name2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1cccc(Cl)c1Cl
InChIInChI=1S/C34H33Cl2N5O2/c35-27-3-1-2-25(31(27)36)32(42)39-28-9-7-23-5-6-24(19-26(23)28)33(43)41-17-12-34(21-41)10-15-40(16-11-34)20-22-4-8-29-30(18-22)38-14-13-37-29/h1-6,8,13-14,18-19,28H,7,9-12,15-17,20-21H2,(H,39,42)
InChIKeyRIVDVPMLXOLLBX-UHFFFAOYSA-N
XLogP6.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.58
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 46935889) is 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is RIVDVPMLXOLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33Cl2N5O2/c35-27-3-1-2-25(31(27)36)32(42)39-28-9-7-23-5-6-24(19-26(23)28)33(43)41-17-12-34(21-41)10-15-40(16-11-34)20-22-4-8-29-30(18-22)38-14-13-37-29/h1-6,8,13-14,18-19,28H,7,9-12,15-17,20-21H2,(H,39,42).
What are the key properties of 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 614.58 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 46935889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).