4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide

C25H25ClN2O — CID 142578317

IUPAC4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
SMILESO=C(NC1CC2(CCC(c3ccnc4ccccc34)CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN2O/c26-19-7-5-18(6-8-19)24(29)28-20-15-25(16-20)12-9-17(10-13-25)21-11-14-27-23-4-2-1-3-22(21)23/h1-8,11,14,17,20H,9-10,12-13,15-16H2,(H,28,29)
InChIKeySEBQKJWHFDNUDF-UHFFFAOYSA-N
MW404.94 g/mol
LogP6.12
Rot. Bonds3

About 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide

4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide (PubChem CID 142578317) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
PubChem CID142578317
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
SMILESO=C(NC1CC2(CCC(c3ccnc4ccccc34)CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN2O/c26-19-7-5-18(6-8-19)24(29)28-20-15-25(16-20)12-9-17(10-13-25)21-11-14-27-23-4-2-1-3-22(21)23/h1-8,11,14,17,20H,9-10,12-13,15-16H2,(H,28,29)
InChIKeySEBQKJWHFDNUDF-UHFFFAOYSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[7-(6-phosphanylquinolin-4-yl)spiro[3.5]nonan-2-yl]benzamide
CID 155419780
N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
CID 156757393
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
CID 145397632
(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 155011627
4-cyclopentylquinoline
CID 57273226
N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 162483580
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
CID 156622336
2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
CID 155419700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide (CID 142578317) is 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide is O=C(NC1CC2(CCC(c3ccnc4ccccc34)CC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide?
The InChIKey is SEBQKJWHFDNUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c26-19-7-5-18(6-8-19)24(29)28-20-15-25(16-20)12-9-17(10-13-25)21-11-14-27-23-4-2-1-3-22(21)23/h1-8,11,14,17,20H,9-10,12-13,15-16H2,(H,28,29).
What are the key properties of 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide?
4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide has a molecular weight of 404.94 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide is sourced from PubChem (CID 142578317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).