2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C26H28Cl2N4O2 — CID 167918163

IUPAC2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)N1CCCC2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C26H28Cl2N4O2/c27-21-7-6-18(12-22(21)28)15-31-11-9-26(16-31)8-3-10-32(17-26)25(34)29-14-19-13-24(33)30-23-5-2-1-4-20(19)23/h1-2,4-7,12-13H,3,8-11,14-17H2,(H,29,34)(H,30,33)
InChIKeyRQHQGWOCNSIBIB-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.03
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 167918163) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID167918163
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)N1CCCC2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C26H28Cl2N4O2/c27-21-7-6-18(12-22(21)28)15-31-11-9-26(16-31)8-3-10-32(17-26)25(34)29-14-19-13-24(33)30-23-5-2-1-4-20(19)23/h1-2,4-7,12-13H,3,8-11,14-17H2,(H,29,34)(H,30,33)
InChIKeyRQHQGWOCNSIBIB-UHFFFAOYSA-N
XLogP5.03
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
N-(1,3-benzothiazol-5-ylmethyl)-2-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 167788283
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771105
2-(4-benzylmorpholin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 136512300
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845
(5R)-2-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482624
2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
CID 168974025
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 167918163) is 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCCC2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is RQHQGWOCNSIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c27-21-7-6-18(12-22(21)28)15-31-11-9-26(16-31)8-3-10-32(17-26)25(34)29-14-19-13-24(33)30-23-5-2-1-4-20(19)23/h1-2,4-7,12-13H,3,8-11,14-17H2,(H,29,34)(H,30,33).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 167918163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).