4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide

C26H29N2OP — CID 155419780

IUPAC4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC3(CCC(c4ccnc5ccc(P)cc45)CC3)C2)cc1
InChIInChI=1S/C26H29N2OP/c1-17-2-4-19(5-3-17)25(29)28-20-15-26(16-20)11-8-18(9-12-26)22-10-13-27-24-7-6-21(30)14-23(22)24/h2-7,10,13-14,18,20H,8-9,11-12,15-16,30H2,1H3,(H,28,29)
InChIKeyDPOMSNXIGHEPBH-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.28
Rot. Bonds3

About 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide

4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide (PubChem CID 155419780) has the molecular formula C26H29N2OP and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide
PubChem CID155419780
Molecular FormulaC26H29N2OP
Molecular Weight416.51 g/mol
Exact Mass416.20
IUPAC Name4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC3(CCC(c4ccnc5ccc(P)cc45)CC3)C2)cc1
InChIInChI=1S/C26H29N2OP/c1-17-2-4-19(5-3-17)25(29)28-20-15-26(16-20)11-8-18(9-12-26)22-10-13-27-24-7-6-21(30)14-23(22)24/h2-7,10,13-14,18,20H,8-9,11-12,15-16,30H2,1H3,(H,28,29)
InChIKeyDPOMSNXIGHEPBH-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
CID 142578317
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonane-3-carbonitrile
CID 155419779
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
2-[cyclopropyl(methyl)amino]-N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]pyridine-4-carboxamide
CID 170294242
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
N-cyclobutyl-2-[3-(6-fluoroquinolin-4-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 138633852

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide (CID 155419780) is 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide is Cc1ccc(C(=O)NC2CC3(CCC(c4ccnc5ccc(P)cc45)CC3)C2)cc1.
What is the InChIKey of 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide?
The InChIKey is DPOMSNXIGHEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2OP/c1-17-2-4-19(5-3-17)25(29)28-20-15-26(16-20)11-8-18(9-12-26)22-10-13-27-24-7-6-21(30)14-23(22)24/h2-7,10,13-14,18,20H,8-9,11-12,15-16,30H2,1H3,(H,28,29).
What are the key properties of 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide?
4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide has a molecular weight of 416.51 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide is sourced from PubChem (CID 155419780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).